N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide

C16H12N4O2S — CID 88898768

IUPACN-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H12N4O2S/c21-14(12-4-2-1-3-5-12)19-15(22)20-16-18-13(10-23-16)11-6-8-17-9-7-11/h1-10H,(H2,18,19,20,21,22)
InChIKeyIUJQUAIMHFILNR-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.17
Rot. Bonds3

About N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide

N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide (PubChem CID 88898768) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide
PubChem CID88898768
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC NameN-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H12N4O2S/c21-14(12-4-2-1-3-5-12)19-15(22)20-16-18-13(10-23-16)11-6-8-17-9-7-11/h1-10H,(H2,18,19,20,21,22)
InChIKeyIUJQUAIMHFILNR-UHFFFAOYSA-N
XLogP3.17
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate
CID 87406304
2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 9111057
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 1275742
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 58824760

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide?
The IUPAC name of N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide (CID 88898768) is N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide.
What is the SMILES notation for N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide?
The canonical SMILES for N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide is O=C(NC(=O)c1ccccc1)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide?
The InChIKey is IUJQUAIMHFILNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c21-14(12-4-2-1-3-5-12)19-15(22)20-16-18-13(10-23-16)11-6-8-17-9-7-11/h1-10H,(H2,18,19,20,21,22).
What are the key properties of N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide?
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide has a molecular weight of 324.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide is sourced from PubChem (CID 88898768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).