N-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide

C13H19N3OS — CID 53015900

IUPACN-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1csc(N2CCCC2)n1
InChIInChI=1S/C13H19N3OS/c17-12(14-10-5-1-2-6-10)11-9-18-13(15-11)16-7-3-4-8-16/h9-10H,1-8H2,(H,14,17)
InChIKeySBUAUZWWDYHTIY-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.42
Rot. Bonds3

About N-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide

N-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 53015900) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
PubChem CID53015900
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1csc(N2CCCC2)n1
InChIInChI=1S/C13H19N3OS/c17-12(14-10-5-1-2-6-10)11-9-18-13(15-11)16-7-3-4-8-16/h9-10H,1-8H2,(H,14,17)
InChIKeySBUAUZWWDYHTIY-UHFFFAOYSA-N
XLogP2.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (CID 53015900) is N-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is O=C(NC1CCCC1)c1csc(N2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SBUAUZWWDYHTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c17-12(14-10-5-1-2-6-10)11-9-18-13(15-11)16-7-3-4-8-16/h9-10H,1-8H2,(H,14,17).
What are the key properties of N-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
N-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53015900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).