N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide

C11H13N3OS — CID 90603537

IUPACN-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESN#Cc1cnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C11H13N3OS/c12-6-9-7-13-11(16-9)14-10(15)8-4-2-1-3-5-8/h7-8H,1-5H2,(H,13,14,15)
InChIKeyJQXQZLXAQSXYOJ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.53
Rot. Bonds2

About N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide

N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide (PubChem CID 90603537) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide
PubChem CID90603537
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESN#Cc1cnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C11H13N3OS/c12-6-9-7-13-11(16-9)14-10(15)8-4-2-1-3-5-8/h7-8H,1-5H2,(H,13,14,15)
InChIKeyJQXQZLXAQSXYOJ-UHFFFAOYSA-N
XLogP2.53
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 144888956
N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
CID 65018719
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 60802655
4-amino-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 138524929
3-[2-(cyclopentanecarbonylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 54971231
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
CID 166432032
N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 167958493
1-tert-butyl-3-(5-cyano-1,3-thiazol-2-yl)urea
CID 90603690
N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide
CID 166280871
N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 87301470
N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 155186410

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide (CID 90603537) is N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide is N#Cc1cnc(NC(=O)C2CCCCC2)s1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is JQXQZLXAQSXYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c12-6-9-7-13-11(16-9)14-10(15)8-4-2-1-3-5-8/h7-8H,1-5H2,(H,13,14,15).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide?
N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 90603537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).