N-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C14H17N3OS — CID 6620256

IUPACN-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NC1CCCC1
InChIInChI=1S/C14H17N3OS/c1-10-12(13(18)16-11-6-2-3-7-11)19-14(15-10)17-8-4-5-9-17/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyAWPDZBBGUAKFKN-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.91
Rot. Bonds3

About N-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 6620256) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID6620256
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NC1CCCC1
InChIInChI=1S/C14H17N3OS/c1-10-12(13(18)16-11-6-2-3-7-11)19-14(15-10)17-8-4-5-9-17/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyAWPDZBBGUAKFKN-UHFFFAOYSA-N
XLogP2.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 6620256) is N-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is AWPDZBBGUAKFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-12(13(18)16-11-6-2-3-7-11)19-14(15-10)17-8-4-5-9-17/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,16,18).
What are the key properties of N-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 6620256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).