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

C13H11N3OS — CID 54382001

IUPAC2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
SMILESCCc1cnc(NC(=O)c2ccccc2C#N)s1
InChIInChI=1S/C13H11N3OS/c1-2-10-8-15-13(18-10)16-12(17)11-6-4-3-5-9(11)7-14/h3-6,8H,2H2,1H3,(H,15,16,17)
InChIKeyIDOZHYUBFBMGSD-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.83
Rot. Bonds3

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

2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide (PubChem CID 54382001) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
PubChem CID54382001
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
SMILESCCc1cnc(NC(=O)c2ccccc2C#N)s1
InChIInChI=1S/C13H11N3OS/c1-2-10-8-15-13(18-10)16-12(17)11-6-4-3-5-9(11)7-14/h3-6,8H,2H2,1H3,(H,15,16,17)
InChIKeyIDOZHYUBFBMGSD-UHFFFAOYSA-N
XLogP2.83
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzenesulfonic acid
CID 54057467
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 54138651
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 166218577
2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide
CID 90603571
N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 167969899
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 166349691
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 119307130
N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide
CID 4254438
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide
CID 4651810
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 86920236

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide (CID 54382001) is 2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide is CCc1cnc(NC(=O)c2ccccc2C#N)s1.
What is the InChIKey of 2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is IDOZHYUBFBMGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-2-10-8-15-13(18-10)16-12(17)11-6-4-3-5-9(11)7-14/h3-6,8H,2H2,1H3,(H,15,16,17).
What are the key properties of 2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide?
2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 257.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 54382001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).