4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide

C14H13N3OS — CID 22170568

IUPAC4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1cnc(NC(=O)c2ccc(C#N)cc2)s1
InChIInChI=1S/C14H13N3OS/c1-9(2)12-8-16-14(19-12)17-13(18)11-5-3-10(7-15)4-6-11/h3-6,8-9H,1-2H3,(H,16,17,18)
InChIKeyGRPDNEJIJZYAEH-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.39
Rot. Bonds3

About 4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide

4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 22170568) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID22170568
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1cnc(NC(=O)c2ccc(C#N)cc2)s1
InChIInChI=1S/C14H13N3OS/c1-9(2)12-8-16-14(19-12)17-13(18)11-5-3-10(7-15)4-6-11/h3-6,8-9H,1-2H3,(H,16,17,18)
InChIKeyGRPDNEJIJZYAEH-UHFFFAOYSA-N
XLogP3.39
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170458
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170489
4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170724
4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170516
3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170799
3,5-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170540
3-[2-[(4-cyanobenzoyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76907763
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-4-cyanobenzamide
CID 60802706
2-[(4-cyanobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59729192
4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7202790
4-[(2-phenylsulfanylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170823

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 22170568) is 4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)c1cnc(NC(=O)c2ccc(C#N)cc2)s1.
What is the InChIKey of 4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is GRPDNEJIJZYAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9(2)12-8-16-14(19-12)17-13(18)11-5-3-10(7-15)4-6-11/h3-6,8-9H,1-2H3,(H,16,17,18).
What are the key properties of 4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 271.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 22170568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).