N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide

C19H14ClN3O2S — CID 6172710

IUPACN-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide
SMILESO=C(Nc1nccs1)/C(NC(=O)c1ccccc1)=C(/Cl)c1ccccc1
InChIInChI=1S/C19H14ClN3O2S/c20-15(13-7-3-1-4-8-13)16(18(25)23-19-21-11-12-26-19)22-17(24)14-9-5-2-6-10-14/h1-12H,(H,22,24)(H,21,23,25)/b16-15-
InChIKeyJMTYUDPXLYZIHE-NXVVXOECSA-N
MW383.86 g/mol
LogP4.12
Rot. Bonds5

About N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide

N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide (PubChem CID 6172710) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide
PubChem CID6172710
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC NameN-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide
SMILESO=C(Nc1nccs1)/C(NC(=O)c1ccccc1)=C(/Cl)c1ccccc1
InChIInChI=1S/C19H14ClN3O2S/c20-15(13-7-3-1-4-8-13)16(18(25)23-19-21-11-12-26-19)22-17(24)14-9-5-2-6-10-14/h1-12H,(H,22,24)(H,21,23,25)/b16-15-
InChIKeyJMTYUDPXLYZIHE-NXVVXOECSA-N
XLogP4.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-benzamido-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-triphenylphosphanium
CID 6056327
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
N-(3-amino-1-chloro-3-oxo-1-phenylprop-1-en-2-yl)benzamide
CID 141166419
3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 154975421
N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 3120733
3-[(4-phenylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361308
(1,3-thiazol-2-ylamino) benzoate
CID 174937063
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113077
N-[(2R,3R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113076
4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 8814256
N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19713845

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide (CID 6172710) is N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide is O=C(Nc1nccs1)/C(NC(=O)c1ccccc1)=C(/Cl)c1ccccc1.
What is the InChIKey of N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide?
The InChIKey is JMTYUDPXLYZIHE-NXVVXOECSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c20-15(13-7-3-1-4-8-13)16(18(25)23-19-21-11-12-26-19)22-17(24)14-9-5-2-6-10-14/h1-12H,(H,22,24)(H,21,23,25)/b16-15-.
What are the key properties of N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide?
N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide has a molecular weight of 383.86 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 6172710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).