2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene

C76H95Cl6N11O2S6 — CID 162030488

IUPAC2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene
SMILESCC1=CC=NC1.Cc1cc(Cl)cs1.Cc1cc(Cl)sc1Cl.Cc1ccc(Cl)s1.Cc1cccn1C.Cc1ccco1.Cc1cccs1.Cc1ccn(C)c1.Cc1ccncc1.Cc1ccoc1.Cc1cn[nH]c1.Cc1cnc(Cl)n1C.Cc1cncs1.Cc1cnn(C)c1.Cc1sccc1Cl
InChIInChI=1S/2C6H9N.C6H7N.C5H4Cl2S.C5H7ClN2.3C5H5ClS.C5H8N2.C5H7N.2C5H6O.C5H6S.C4H6N2.C4H5NS/c1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-3-2-4(6)8-5(3)7;1-4-3-7-5(6)8(4)2;1-4-2-5(6)3-7-4;1-4-5(6)2-3-7-4;1-4-2-3-5(6)7-4;1-5-3-6-7(2)4-5;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-2-5-3-6-4/h2*3-5H,1-2H3;2-5H,1H3;2H,1H3;3H,1-2H3;3*2-3H,1H3;3-4H,1-2H3;2-3H,4H2,1H3;3*2-4H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3
InChIKeyYVYMOWBGDPGHEL-UHFFFAOYSA-N
MW1599.79 g/mol
LogP26.08
Rot. Bonds

About 2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene

2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene (PubChem CID 162030488) has the molecular formula C76H95Cl6N11O2S6 and a molecular weight of 1599.79 g/mol. Its IUPAC name is 2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene.

Molecular Properties

Compound Name2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene
PubChem CID162030488
Molecular FormulaC76H95Cl6N11O2S6
Molecular Weight1599.79 g/mol
Exact Mass1595.41
IUPAC Name2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene
SMILESCC1=CC=NC1.Cc1cc(Cl)cs1.Cc1cc(Cl)sc1Cl.Cc1ccc(Cl)s1.Cc1cccn1C.Cc1ccco1.Cc1cccs1.Cc1ccn(C)c1.Cc1ccncc1.Cc1ccoc1.Cc1cn[nH]c1.Cc1cnc(Cl)n1C.Cc1cncs1.Cc1cnn(C)c1.Cc1sccc1Cl
InChIInChI=1S/2C6H9N.C6H7N.C5H4Cl2S.C5H7ClN2.3C5H5ClS.C5H8N2.C5H7N.2C5H6O.C5H6S.C4H6N2.C4H5NS/c1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-3-2-4(6)8-5(3)7;1-4-3-7-5(6)8(4)2;1-4-2-5(6)3-7-4;1-4-5(6)2-3-7-4;1-4-2-3-5(6)7-4;1-5-3-6-7(2)4-5;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-2-5-3-6-4/h2*3-5H,1-2H3;2-5H,1H3;2H,1H3;3H,1-2H3;3*2-3H,1H3;3-4H,1-2H3;2-3H,4H2,1H3;3*2-4H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3
InChIKeyYVYMOWBGDPGHEL-UHFFFAOYSA-N
XLogP26.08
TPSA138.60 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001599.79
LogP ≤ 526.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene with MolForge

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Related Compounds

2-chloro-5-methylthiophene;2,5-dimethylfuran;bis(1,4-dimethylimidazole);1,5-dimethylimidazole;1,4-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethyl-2-(trifluoromethyl)furan;1-ethyl-4-methylpyrazole;2-ethynyl-5-methylthiophene;1-hydroxy-4-methylpyrazole;2-methylfuran;3-methyl-4H-pyrazole;2-methyl-1,3,4-thiadiazole;2-methylthiophene;5-methyl-1H-1,2,4-triazole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;1,2,5-trimethylimidazole;3,4,5-trimethyl-1,2-oxazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;2,3,4-trimethylthiophene
CID 157804731
2-chloro-5-methylthiophene;bis(1,4-dimethylimidazole);1,5-dimethylimidazole;1,4-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethyl-2-(trifluoromethyl)furan;1-ethyl-4-methylpyrazole;2-ethynyl-5-methylthiophene;1-hydroxy-4-methylpyrazole;2-methylfuran;3-methyl-4H-pyrazole;2-methyl-1,3,4-thiadiazole;2-methylthiophene;5-methyl-1H-1,2,4-triazole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;1,2,5-trimethylimidazole;3,4,5-trimethyl-1,2-oxazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;2,3,4-trimethylthiophene
CID 158229955
3-Chloro-2-methylthiophene;2,4-dichloro-5-methyl-1,3-thiazole;2,5-dichloro-4-methyl-1,3-thiazole;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole
CID 159208699
2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole
CID 161130887
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole
CID 141114805
3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine
CID 151616737
methane;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;bis(4-propan-2-yl-2H-triazole)
CID 157055801
Ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole
CID 157271870
cumene;2-hydrazinylidene-4-methylpentan-1-imine;docosakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;4-(2-methylpropyl)-1,2,4-triazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157284470
cumene;icosakis(2-methylpropane);2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole
CID 157318180
3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
CID 157488258
4-bromo-5-propan-2-yl-1H-pyrazole;(5-tert-butylfuran-2-yl)methanol;2-tert-butyl-5-methylfuran;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butylthieno[3,2-b]thiophene;2-tert-butylthiophene;3-tert-butylthiophene;5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2-chloro-5-propan-2-ylpyridine;2,4-dichloro-5-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 157612230

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene?
The IUPAC name of 2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene (CID 162030488) is 2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene.
What is the SMILES notation for 2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene?
The canonical SMILES for 2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene is CC1=CC=NC1.Cc1cc(Cl)cs1.Cc1cc(Cl)sc1Cl.Cc1ccc(Cl)s1.Cc1cccn1C.Cc1ccco1.Cc1cccs1.Cc1ccn(C)c1.Cc1ccncc1.Cc1ccoc1.Cc1cn[nH]c1.Cc1cnc(Cl)n1C.Cc1cncs1.Cc1cnn(C)c1.Cc1sccc1Cl.
What is the InChIKey of 2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene?
The InChIKey is YVYMOWBGDPGHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N.C6H7N.C5H4Cl2S.C5H7ClN2.3C5H5ClS.C5H8N2.C5H7N.2C5H6O.C5H6S.C4H6N2.C4H5NS/c1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-3-2-4(6)8-5(3)7;1-4-3-7-5(6)8(4)2;1-4-2-5(6)3-7-4;1-4-5(6)2-3-7-4;1-4-2-3-5(6)7-4;1-5-3-6-7(2)4-5;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-2-5-3-6-4/h2*3-5H,1-2H3;2-5H,1H3;2H,1H3;3H,1-2H3;3*2-3H,1H3;3-4H,1-2H3;2-3H,4H2,1H3;3*2-4H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3.
What are the key properties of 2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene?
2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene has a molecular weight of 1599.79 g/mol, XLogP of 26.08, 0 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,5-dimethylimidazole;2-chloro-5-methylthiophene;3-chloro-2-methylthiophene;4-chloro-2-methylthiophene;2,5-dichloro-3-methylthiophene;1,4-dimethylpyrazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;4-methylpyridine;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene is sourced from PubChem (CID 162030488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).