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

C17H24N4OS — CID 134082343

IUPAC1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
SMILESCCCNc1nc(-c2cc(C(N)=O)c(C)n2C2CCCC2)cs1
InChIInChI=1S/C17H24N4OS/c1-3-8-19-17-20-14(10-23-17)15-9-13(16(18)22)11(2)21(15)12-6-4-5-7-12/h9-10,12H,3-8H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyZDBZFMZOFJZOJV-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.96
Rot. Bonds6

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

1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide (PubChem CID 134082343) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
PubChem CID134082343
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
SMILESCCCNc1nc(-c2cc(C(N)=O)c(C)n2C2CCCC2)cs1
InChIInChI=1S/C17H24N4OS/c1-3-8-19-17-20-14(10-23-17)15-9-13(16(18)22)11(2)21(15)12-6-4-5-7-12/h9-10,12H,3-8H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyZDBZFMZOFJZOJV-UHFFFAOYSA-N
XLogP3.96
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide (CID 134082343) is 1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide is CCCNc1nc(-c2cc(C(N)=O)c(C)n2C2CCCC2)cs1.
What is the InChIKey of 1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide?
The InChIKey is ZDBZFMZOFJZOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-3-8-19-17-20-14(10-23-17)15-9-13(16(18)22)11(2)21(15)12-6-4-5-7-12/h9-10,12H,3-8H2,1-2H3,(H2,18,22)(H,19,20).
What are the key properties of 1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide?
1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.96, 6 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-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 134082343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).