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

C12H15N3OS — CID 104579035

IUPAC1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCc2cncs2)CCCCC1
InChIInChI=1S/C12H15N3OS/c13-8-12(4-2-1-3-5-12)11(16)15-7-10-6-14-9-17-10/h6,9H,1-5,7H2,(H,15,16)
InChIKeyQUYYVRMPOWNWCG-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.23
Rot. Bonds3

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

1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 104579035) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide
PubChem CID104579035
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCc2cncs2)CCCCC1
InChIInChI=1S/C12H15N3OS/c13-8-12(4-2-1-3-5-12)11(16)15-7-10-6-14-9-17-10/h6,9H,1-5,7H2,(H,15,16)
InChIKeyQUYYVRMPOWNWCG-UHFFFAOYSA-N
XLogP2.23
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104579075
1-cyano-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 114110948
1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 103709251
1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 103939777
1-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113241733
1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 61461590
1-cyano-N-[(4-cyanophenyl)methyl]cyclohexane-1-carboxamide
CID 61461994
1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 82873497
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122
N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
CID 68850926
1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 110908761
1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea
CID 104588445

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide (CID 104579035) is 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide is N#CC1(C(=O)NCc2cncs2)CCCCC1.
What is the InChIKey of 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is QUYYVRMPOWNWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-8-12(4-2-1-3-5-12)11(16)15-7-10-6-14-9-17-10/h6,9H,1-5,7H2,(H,15,16).
What are the key properties of 1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide?
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.23, 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)cyclohexane-1-carboxamide is sourced from PubChem (CID 104579035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).