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

C14H19N3OS — CID 103709251

IUPAC1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCCc1cnc(CNC(=O)C2(C#N)CCCCC2)s1
InChIInChI=1S/C14H19N3OS/c1-2-11-8-16-12(19-11)9-17-13(18)14(10-15)6-4-3-5-7-14/h8H,2-7,9H2,1H3,(H,17,18)
InChIKeyFBOPWIBFNCIPEQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.80
Rot. Bonds4

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

1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 103709251) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID103709251
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCCc1cnc(CNC(=O)C2(C#N)CCCCC2)s1
InChIInChI=1S/C14H19N3OS/c1-2-11-8-16-12(19-11)9-17-13(18)14(10-15)6-4-3-5-7-14/h8H,2-7,9H2,1H3,(H,17,18)
InChIKeyFBOPWIBFNCIPEQ-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113241733
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113267621
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 112696825
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 104579035
1-carbamothioyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 114127764
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
CID 71867664
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104579075
1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 61461590
1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 113387290
1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 103755577
1-cyano-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 114110948

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide (CID 103709251) is 1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide is CCc1cnc(CNC(=O)C2(C#N)CCCCC2)s1.
What is the InChIKey of 1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is FBOPWIBFNCIPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-11-8-16-12(19-11)9-17-13(18)14(10-15)6-4-3-5-7-14/h8H,2-7,9H2,1H3,(H,17,18).
What are the key properties of 1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide?
1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103709251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).