6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide

C13H13N3OS — CID 166873025

IUPAC6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide
SMILESCc1cnc(NC(=O)C2(C)C=CC=CC2C#N)s1
InChIInChI=1S/C13H13N3OS/c1-9-8-15-12(18-9)16-11(17)13(2)6-4-3-5-10(13)7-14/h3-6,8,10H,1-2H3,(H,15,16,17)
InChIKeyZISIADPLOSSOCJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.66
Rot. Bonds2

About 6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide

6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 166873025) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID166873025
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide
SMILESCc1cnc(NC(=O)C2(C)C=CC=CC2C#N)s1
InChIInChI=1S/C13H13N3OS/c1-9-8-15-12(18-9)16-11(17)13(2)6-4-3-5-10(13)7-14/h3-6,8,10H,1-2H3,(H,15,16,17)
InChIKeyZISIADPLOSSOCJ-UHFFFAOYSA-N
XLogP2.66
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide (CID 166873025) is 6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide is Cc1cnc(NC(=O)C2(C)C=CC=CC2C#N)s1.
What is the InChIKey of 6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is ZISIADPLOSSOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-9-8-15-12(18-9)16-11(17)13(2)6-4-3-5-10(13)7-14/h3-6,8,10H,1-2H3,(H,15,16,17).
What are the key properties of 6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide?
6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 166873025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).