1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide

C11H13N3OS — CID 104579075

IUPAC1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCc2cncs2)CCCC1
InChIInChI=1S/C11H13N3OS/c12-7-11(3-1-2-4-11)10(15)14-6-9-5-13-8-16-9/h5,8H,1-4,6H2,(H,14,15)
InChIKeyIJZJXXUVPDNIPN-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.84
Rot. Bonds3

About 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide

1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 104579075) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide
PubChem CID104579075
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCc2cncs2)CCCC1
InChIInChI=1S/C11H13N3OS/c12-7-11(3-1-2-4-11)10(15)14-6-9-5-13-8-16-9/h5,8H,1-4,6H2,(H,14,15)
InChIKeyIJZJXXUVPDNIPN-UHFFFAOYSA-N
XLogP1.84
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide
CID 75426819
4,4-Dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
CID 20589926
3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 39855016
(2R)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide
CID 39855017
(2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide
CID 39855018
N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanecarboxamide
CID 39855028
3-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 55165280
2-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 55208429
2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide
CID 56725429
1-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide
CID 61280453
1-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide
CID 61381274
1-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 61478928

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide (CID 104579075) is 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide is N#CC1(C(=O)NCc2cncs2)CCCC1.
What is the InChIKey of 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is IJZJXXUVPDNIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c12-7-11(3-1-2-4-11)10(15)14-6-9-5-13-8-16-9/h5,8H,1-4,6H2,(H,14,15).
What are the key properties of 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide?
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 104579075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).