1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene

C120H195N13S4 — CID 158419814

IUPAC1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1nccn1C(C)C
InChIInChI=1S/2C12H18.2C11H17N.C10H16N2.C10H16S.3C9H16N2.3C9H15NS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h2*5-10H,1-4H3;2*5-9H,1-4H3;5-8H,1-4H3;4*5-8H,1-4H3;3*5-7H,1-4H3
InChIKeyHAIUVDSLOGLKFP-UHFFFAOYSA-N
MW1948.24 g/mol
LogP39.17
Rot. Bonds24

About 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene

1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene (PubChem CID 158419814) has the molecular formula C120H195N13S4 and a molecular weight of 1948.24 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
PubChem CID158419814
Molecular FormulaC120H195N13S4
Molecular Weight1948.24 g/mol
Exact Mass1946.45
IUPAC Name1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1nccn1C(C)C
InChIInChI=1S/2C12H18.2C11H17N.C10H16N2.C10H16S.3C9H16N2.3C9H15NS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h2*5-10H,1-4H3;2*5-9H,1-4H3;5-8H,1-4H3;4*5-8H,1-4H3;3*5-7H,1-4H3
InChIKeyHAIUVDSLOGLKFP-UHFFFAOYSA-N
XLogP39.17
TPSA143.69 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001948.24
LogP ≤ 539.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene with MolForge

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Related Compounds

2-[6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 22031239
2-[6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 68812186
2-[6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 68812430
2-[6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 68813812
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(1-methyl-5-phenylimidazol-2-yl)methyl]-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine
CID 86288250
2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
2-Chloro-1-methyl-4-(trifluoromethyl)imidazole;bis(1,5-dimethyl-3-(trifluoromethyl)pyrazole);1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;4-methyl-2-(trifluoromethyl)thiophene;1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 157527051
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 157653295
2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;hexakis(2-(2H-naphthalen-2-id-1-yl)-1,3-thiazole);2-pyrazol-2-id-3-ylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 160021307
1-methyl-3-(4-propan-2-ylphenyl)pyrazole;4-methyl-5-(4-propan-2-ylphenyl)-1H-pyrazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole;4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole;1-methyl-4-(4-propan-2-ylphenyl)triazole;1-methyl-5-(4-propan-2-ylphenyl)triazole;2-methyl-4-(4-propan-2-ylphenyl)triazole;2-(4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3-thiazole
CID 161222423
1-methyl-3-(4-propan-2-ylphenyl)pyrazole;4-methyl-5-(4-propan-2-ylphenyl)-1H-pyrazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole;4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole;1-methyl-5-(4-propan-2-ylphenyl)triazole;2-methyl-4-(4-propan-2-ylphenyl)triazole;2-(4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3-thiazole
CID 161838084
4-[[2-[4-[6-(1-Methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole
CID 168264034

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene?
The IUPAC name of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene (CID 158419814) is 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene.
What is the SMILES notation for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene?
The canonical SMILES for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene is CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1nccn1C(C)C.
What is the InChIKey of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene?
The InChIKey is HAIUVDSLOGLKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18.2C11H17N.C10H16N2.C10H16S.3C9H16N2.3C9H15NS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h2*5-10H,1-4H3;2*5-9H,1-4H3;5-8H,1-4H3;4*5-8H,1-4H3;3*5-7H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene?
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene has a molecular weight of 1948.24 g/mol, XLogP of 39.17, 24 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 158419814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).