1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide

C13H17N3OS — CID 55171302

IUPAC1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1ncsc1CNC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C13H17N3OS/c1-10-11(18-9-16-10)7-15-12(17)13(8-14)5-3-2-4-6-13/h9H,2-7H2,1H3,(H,15,17)
InChIKeyNSOQGXWOKFYBKK-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.54
Rot. Bonds3

About 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide

1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 55171302) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
PubChem CID55171302
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1ncsc1CNC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C13H17N3OS/c1-10-11(18-9-16-10)7-15-12(17)13(8-14)5-3-2-4-6-13/h9H,2-7H2,1H3,(H,15,17)
InChIKeyNSOQGXWOKFYBKK-UHFFFAOYSA-N
XLogP2.54
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide (CID 55171302) is 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide is Cc1ncsc1CNC(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is NSOQGXWOKFYBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-11(18-9-16-10)7-15-12(17)13(8-14)5-3-2-4-6-13/h9H,2-7H2,1H3,(H,15,17).
What are the key properties of 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55171302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).