2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C15H14ClN3O3S — CID 88648161

IUPAC2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Cl)C(=O)NC(C(=O)Nc1nccs1)C(=O)c1ccccc1
InChIInChI=1S/C15H14ClN3O3S/c1-9(16)13(21)18-11(12(20)10-5-3-2-4-6-10)14(22)19-15-17-7-8-23-15/h2-9,11H,1H3,(H,18,21)(H,17,19,22)
InChIKeyQYRWOLLICOIHFJ-UHFFFAOYSA-N
MW351.82 g/mol
LogP2.08
Rot. Bonds6

About 2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 88648161) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is 2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID88648161
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC Name2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Cl)C(=O)NC(C(=O)Nc1nccs1)C(=O)c1ccccc1
InChIInChI=1S/C15H14ClN3O3S/c1-9(16)13(21)18-11(12(20)10-5-3-2-4-6-10)14(22)19-15-17-7-8-23-15/h2-9,11H,1H3,(H,18,21)(H,17,19,22)
InChIKeyQYRWOLLICOIHFJ-UHFFFAOYSA-N
XLogP2.08
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(2,2-dichloroacetyl)amino]-3-oxo-N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 88696270
2-[(2-chloro-3-methoxypropanoyl)amino]-3-(4-chlorophenyl)-3-oxo-N-(1,3-thiazol-2-yl)propanamide
CID 88631399
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
2-chloro-N-[1,3-dioxo-1-(1,3-thiazol-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]pentanamide
CID 88648034
N-[(2R,3R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113076
N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113077
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044
3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 154975421
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 88648161) is 2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is CC(Cl)C(=O)NC(C(=O)Nc1nccs1)C(=O)c1ccccc1.
What is the InChIKey of 2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is QYRWOLLICOIHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c1-9(16)13(21)18-11(12(20)10-5-3-2-4-6-10)14(22)19-15-17-7-8-23-15/h2-9,11H,1H3,(H,18,21)(H,17,19,22).
What are the key properties of 2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 351.82 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 88648161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).