4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide

C13H12ClN3O2S — CID 46388432

IUPAC4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NCc1cscn1
InChIInChI=1S/C13H12ClN3O2S/c14-10-3-1-9(2-4-10)13(19)16-6-12(18)15-5-11-7-20-8-17-11/h1-4,7-8H,5-6H2,(H,15,18)(H,16,19)
InChIKeySYWJFYNXURFUFM-UHFFFAOYSA-N
MW309.78 g/mol
LogP1.84
Rot. Bonds5

About 4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide

4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide (PubChem CID 46388432) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
PubChem CID46388432
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NCc1cscn1
InChIInChI=1S/C13H12ClN3O2S/c14-10-3-1-9(2-4-10)13(19)16-6-12(18)15-5-11-7-20-8-17-11/h1-4,7-8H,5-6H2,(H,15,18)(H,16,19)
InChIKeySYWJFYNXURFUFM-UHFFFAOYSA-N
XLogP1.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388447
4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346148
3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103841851
2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388441
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 26812896
4-chloro-N-[2-oxo-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide
CID 108770883
(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 46388467
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide (CID 46388432) is 4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1)NCc1cscn1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide?
The InChIKey is SYWJFYNXURFUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c14-10-3-1-9(2-4-10)13(19)16-6-12(18)15-5-11-7-20-8-17-11/h1-4,7-8H,5-6H2,(H,15,18)(H,16,19).
What are the key properties of 4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide?
4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide has a molecular weight of 309.78 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 46388432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).