4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen

C27H36N2S — CID 142919811

IUPAC4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen
SMILESC=C(CCC)c1cc(-c2csc(-c3cccc(CC)c3)n2)n(C2CCCCC2)c1C.[H][H]
InChIInChI=1S/C27H34N2S.H2/c1-5-11-19(3)24-17-26(29(20(24)4)23-14-8-7-9-15-23)25-18-30-27(28-25)22-13-10-12-21(6-2)16-22;/h10,12-13,16-18,23H,3,5-9,11,14-15H2,1-2,4H3;1H
InChIKeyJZIOCOWGYIHPOI-UHFFFAOYSA-N
MW420.67 g/mol
LogP8.71
Rot. Bonds7

About 4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen

4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen (PubChem CID 142919811) has the molecular formula C27H36N2S and a molecular weight of 420.67 g/mol. Its IUPAC name is 4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen.

Molecular Properties

Compound Name4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen
PubChem CID142919811
Molecular FormulaC27H36N2S
Molecular Weight420.67 g/mol
Exact Mass420.26
IUPAC Name4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen
SMILESC=C(CCC)c1cc(-c2csc(-c3cccc(CC)c3)n2)n(C2CCCCC2)c1C.[H][H]
InChIInChI=1S/C27H34N2S.H2/c1-5-11-19(3)24-17-26(29(20(24)4)23-14-8-7-9-15-23)25-18-30-27(28-25)22-13-10-12-21(6-2)16-22;/h10,12-13,16-18,23H,3,5-9,11,14-15H2,1-2,4H3;1H
InChIKeyJZIOCOWGYIHPOI-UHFFFAOYSA-N
XLogP8.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N,2-dimethylpyrrole-3-carboxamide
CID 134082484
butane;4-(5-cyclopentyl-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)-2-(3-ethylphenyl)-1,3-thiazole
CID 142919869
N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134082483
N-butan-2-yl-1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 58740176
1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 134082111
N-butyl-5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-cyclohexyl-2-methylpyrrole-3-carboxamide
CID 58740306
ethyl 1-[1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carbonyl]piperidine-4-carboxylate
CID 134082419
1-(cyclohexylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081994
1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 134082343
5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide
CID 134082283
N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740327
butanamide;5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxylic acid
CID 161041506

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen?
The IUPAC name of 4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen (CID 142919811) is 4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen.
What is the SMILES notation for 4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen?
The canonical SMILES for 4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen is C=C(CCC)c1cc(-c2csc(-c3cccc(CC)c3)n2)n(C2CCCCC2)c1C.[H][H].
What is the InChIKey of 4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen?
The InChIKey is JZIOCOWGYIHPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2S.H2/c1-5-11-19(3)24-17-26(29(20(24)4)23-14-8-7-9-15-23)25-18-30-27(28-25)22-13-10-12-21(6-2)16-22;/h10,12-13,16-18,23H,3,5-9,11,14-15H2,1-2,4H3;1H.
What are the key properties of 4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen?
4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen has a molecular weight of 420.67 g/mol, XLogP of 8.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen is sourced from PubChem (CID 142919811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).