2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene

C184H274N14O4S8 — CID 159021098

IUPAC2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene
SMILESCC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccoc1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)n1cccc1.CCc1cccn1C(C)C.Cc1cc(C)n(C(C)C)c1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1.Cc1ccsc1C(C)C.Cc1cscc1C(C)C
InChIInChI=1S/C12H14N2S.C12H13NS.C11H12N2S.2C10H17N.C10H16O.C10H16S.2C9H15N.3C8H13N.C8H12O.3C8H12S.2C7H11N.2C7H10O.C7H10S/c1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)10-6-8(3)5-9(10)4;1-4-9-6-5-7-10(9)8(2)3;1-7(2)9-5-4-8(3)6-9;1-7(2)8-5-4-6-9(8)3;2*1-6(2)8-5-4-7(3)9-8;1-6(2)8-5-9-4-7(8)3;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7/h4-8H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3;2*4-7H,1-3H3;4-6,9H,1-3H3;4*4-6H,1-3H3;3-7H,1-2H3;3-6,8H,1-2H3;3*3-6H,1-2H3
InChIKeyJTSDRCPHKDKZPS-UHFFFAOYSA-N
MW3002.85 g/mol
LogP61.30
Rot. Bonds29

About 2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene

2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene (PubChem CID 159021098) has the molecular formula C184H274N14O4S8 and a molecular weight of 3002.85 g/mol. Its IUPAC name is 2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene.

Molecular Properties

Compound Name2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene
PubChem CID159021098
Molecular FormulaC184H274N14O4S8
Molecular Weight3002.85 g/mol
Exact Mass2999.94
IUPAC Name2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene
SMILESCC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccoc1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)n1cccc1.CCc1cccn1C(C)C.Cc1cc(C)n(C(C)C)c1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1.Cc1ccsc1C(C)C.Cc1cscc1C(C)C
InChIInChI=1S/C12H14N2S.C12H13NS.C11H12N2S.2C10H17N.C10H16O.C10H16S.2C9H15N.3C8H13N.C8H12O.3C8H12S.2C7H11N.2C7H10O.C7H10S/c1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)10-6-8(3)5-9(10)4;1-4-9-6-5-7-10(9)8(2)3;1-7(2)9-5-4-8(3)6-9;1-7(2)8-5-4-6-9(8)3;2*1-6(2)8-5-4-7(3)9-8;1-6(2)8-5-9-4-7(8)3;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7/h4-8H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3;2*4-7H,1-3H3;4-6,9H,1-3H3;4*4-6H,1-3H3;3-7H,1-2H3;3-6,8H,1-2H3;3*3-6H,1-2H3
InChIKeyJTSDRCPHKDKZPS-UHFFFAOYSA-N
XLogP61.30
TPSA193.96 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003002.85
LogP ≤ 561.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3S)-3-propan-2-ylcyclopentan-1-amine;(3R)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine
CID 159211957
5-[(E)-1-[5-[2-fluoro-4-[4-(furan-3-yl)-2-methyl-3-[(1E,3E)-2-(1H-pyrrol-3-yl)penta-1,3-dienyl]pyrrol-1-yl]phenyl]-3-pyridinyl]prop-1-enyl]-1,3-thiazole
CID 163991025
4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole
CID 91804953
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-indole;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene
CID 157103656
1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157175649
bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane
CID 157371707
1-Methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 157392525
3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylbutane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane
CID 157396888
1,2-Dimethyl-5-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;4-propan-2-ylaniline;2-propan-2-ylfuran;5-propan-2-yl-1,3-thiazole
CID 157409228
2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157431953
Cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157439072

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene?
The IUPAC name of 2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene (CID 159021098) is 2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene.
What is the SMILES notation for 2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene?
The canonical SMILES for 2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene is CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccoc1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)n1cccc1.CCc1cccn1C(C)C.Cc1cc(C)n(C(C)C)c1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1.Cc1ccsc1C(C)C.Cc1cscc1C(C)C.
What is the InChIKey of 2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene?
The InChIKey is JTSDRCPHKDKZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S.C12H13NS.C11H12N2S.2C10H17N.C10H16O.C10H16S.2C9H15N.3C8H13N.C8H12O.3C8H12S.2C7H11N.2C7H10O.C7H10S/c1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)10-6-8(3)5-9(10)4;1-4-9-6-5-7-10(9)8(2)3;1-7(2)9-5-4-8(3)6-9;1-7(2)8-5-4-6-9(8)3;2*1-6(2)8-5-4-7(3)9-8;1-6(2)8-5-9-4-7(8)3;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7/h4-8H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3;2*4-7H,1-3H3;4-6,9H,1-3H3;4*4-6H,1-3H3;3-7H,1-2H3;3-6,8H,1-2H3;3*3-6H,1-2H3.
What are the key properties of 2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene?
2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene has a molecular weight of 3002.85 g/mol, XLogP of 61.30, 29 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene is sourced from PubChem (CID 159021098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).