4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide

C19H16ClN3O2S — CID 86945187

IUPAC4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C19H16ClN3O2S/c1-12(22-18(25)14-7-9-15(20)10-8-14)17(24)23-19-21-11-16(26-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,22,25)(H,21,23,24)
InChIKeyDLIUWFJXXWYGGV-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.22
Rot. Bonds5

About 4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide

4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide (PubChem CID 86945187) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide
PubChem CID86945187
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C19H16ClN3O2S/c1-12(22-18(25)14-7-9-15(20)10-8-14)17(24)23-19-21-11-16(26-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,22,25)(H,21,23,24)
InChIKeyDLIUWFJXXWYGGV-UHFFFAOYSA-N
XLogP4.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 4117286
3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033062
2-chloro-N-[(2S)-1-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 24575713
2-(2-fluorophenyl)-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
CID 86902852
4-chloro-N-[1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 112760826
2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
CID 171152519
3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide
CID 112767596
N-(5-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 22474590
2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
CID 58198475
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
(2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 119720429

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide (CID 86945187) is 4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ncc(-c2ccccc2)s1.
What is the InChIKey of 4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide?
The InChIKey is DLIUWFJXXWYGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-12(22-18(25)14-7-9-15(20)10-8-14)17(24)23-19-21-11-16(26-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide?
4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide has a molecular weight of 385.88 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide is sourced from PubChem (CID 86945187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).