N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide

C11H7N3OS — CID 63024235

IUPACN-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cscn1
InChIInChI=1S/C11H7N3OS/c12-5-8-3-1-2-4-9(8)14-11(15)10-6-16-7-13-10/h1-4,6-7H,(H,14,15)
InChIKeyNPNVBQBDWQZUNP-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.27
Rot. Bonds2

About N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide

N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 63024235) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
PubChem CID63024235
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC NameN-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cscn1
InChIInChI=1S/C11H7N3OS/c12-5-8-3-1-2-4-9(8)14-11(15)10-6-16-7-13-10/h1-4,6-7H,(H,14,15)
InChIKeyNPNVBQBDWQZUNP-UHFFFAOYSA-N
XLogP2.27
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110471770
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-(2-cyanophenyl)thiadiazole-4-carboxamide
CID 65214777
N-(2-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 62046507
N-(2-cyanophenyl)quinoline-2-carboxamide
CID 10588311
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66375860
6-amino-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 55043296
6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 103889509
N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 84579053
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62045995

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide (CID 63024235) is N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide is N#Cc1ccccc1NC(=O)c1cscn1.
What is the InChIKey of N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NPNVBQBDWQZUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c12-5-8-3-1-2-4-9(8)14-11(15)10-6-16-7-13-10/h1-4,6-7H,(H,14,15).
What are the key properties of N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide?
N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 229.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63024235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).