1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide

C17H24N4OS — CID 134082126

IUPAC1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2csc(NC(C)C)n2)n1C1CCCC1
InChIInChI=1S/C17H24N4OS/c1-10(2)19-17-20-14(9-23-17)15-8-13(16(18)22)11(3)21(15)12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H2,18,22)(H,19,20)
InChIKeyLGVHTOBGHAHSOL-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.95
Rot. Bonds5

About 1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide

1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide (PubChem CID 134082126) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
PubChem CID134082126
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2csc(NC(C)C)n2)n1C1CCCC1
InChIInChI=1S/C17H24N4OS/c1-10(2)19-17-20-14(9-23-17)15-8-13(16(18)22)11(3)21(15)12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H2,18,22)(H,19,20)
InChIKeyLGVHTOBGHAHSOL-UHFFFAOYSA-N
XLogP3.95
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 134082111
N-butan-2-yl-1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 58740176
N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740327
N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134082483
1-cyclohexyl-N-heptan-3-yl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740321
N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 62941260
1-(cyclopropylmethyl)-2-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 134082330
N-butyl-5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-cyclohexyl-2-methylpyrrole-3-carboxamide
CID 58740306
1-cyclohexyl-2-methyl-N-(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740226
1-(cyclohexylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081994

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide (CID 134082126) is 1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2csc(NC(C)C)n2)n1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide?
The InChIKey is LGVHTOBGHAHSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-10(2)19-17-20-14(9-23-17)15-8-13(16(18)22)11(3)21(15)12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H2,18,22)(H,19,20).
What are the key properties of 1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide?
1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 134082126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).