1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide

C14H19N3OS — CID 112696825

IUPAC1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
SMILESCCc1cnc(C(C)NC(=O)C2(C#N)CCCC2)s1
InChIInChI=1S/C14H19N3OS/c1-3-11-8-16-12(19-11)10(2)17-13(18)14(9-15)6-4-5-7-14/h8,10H,3-7H2,1-2H3,(H,17,18)
InChIKeyAGGFZCXOCXIDQZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.97
Rot. Bonds4

About 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide

1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 112696825) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID112696825
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
SMILESCCc1cnc(C(C)NC(=O)C2(C#N)CCCC2)s1
InChIInChI=1S/C14H19N3OS/c1-3-11-8-16-12(19-11)10(2)17-13(18)14(9-15)6-4-5-7-14/h8,10H,3-7H2,1-2H3,(H,17,18)
InChIKeyAGGFZCXOCXIDQZ-UHFFFAOYSA-N
XLogP2.97
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 113387290
1-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115734764
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 112701958
1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 103709251
2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112701971
1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 61463136
4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115679309
(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 113264319
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103812633
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid
CID 113364270
4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide
CID 63903829

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide (CID 112696825) is 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide is CCc1cnc(C(C)NC(=O)C2(C#N)CCCC2)s1.
What is the InChIKey of 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is AGGFZCXOCXIDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-11-8-16-12(19-11)10(2)17-13(18)14(9-15)6-4-5-7-14/h8,10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide?
1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 112696825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).