(E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide

C12H11ClN2OS — CID 960165

IUPAC(E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NC1=NCCS1
InChIInChI=1S/C12H11ClN2OS/c13-10-4-1-9(2-5-10)3-6-11(16)15-12-14-7-8-17-12/h1-6H,7-8H2,(H,14,15,16)/b6-3+
InChIKeyYGJVFOOVKXMVHM-ZZXKWVIFSA-N
MW266.75 g/mol
LogP2.57
Rot. Bonds2

About (E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 960165) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID960165
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name(E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NC1=NCCS1
InChIInChI=1S/C12H11ClN2OS/c13-10-4-1-9(2-5-10)3-6-11(16)15-12-14-7-8-17-12/h1-6H,7-8H2,(H,14,15,16)/b6-3+
InChIKeyYGJVFOOVKXMVHM-ZZXKWVIFSA-N
XLogP2.57
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, 4-chloro-N-(4,5-dihydro-2-thiazolyl)-
CID 924611
2-[(4-Chlorobenzyl)thio]-6-methylpyrimidin-4-ol
CID 135412226
2-[(2,4-Dichlorobenzyl)sulfanyl]-6-methyl-4-pyrimidinol
CID 135406358
2-[(2-Chlorobenzyl)thio]pyrimidin-4-ol
CID 241166
4-Amino-2-(3-chlorophenylmethylthio)-6-hydroxypyrimidine
CID 135427712
6-Amino-2-[(2,4-dichlorobenzyl)thio]pyrimidin-4-ol
CID 135406307
(5Z)-5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 2410243
3-(3,4-dichlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acrylamide
CID 896331
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)acrylamide
CID 897475
6-Amino-2-[(2-chlorobenzyl)sulfanyl]pyrimidin-4-ol
CID 135440578
4-[(4-chlorophenyl)methyl]-2-sec-butylsulfanyl-1H-pyrimidin-6-one
CID 135402756
2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
CID 240876

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide (CID 960165) is (E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)NC1=NCCS1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is YGJVFOOVKXMVHM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-10-4-1-9(2-5-10)3-6-11(16)15-12-14-7-8-17-12/h1-6H,7-8H2,(H,14,15,16)/b6-3+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 266.75 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 960165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).