3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

C20H17ClN2O2S — CID 4682996

IUPAC3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCOc1ccc(-c2csc(NC(=O)C=Cc3ccccc3Cl)n2)cc1C
InChIInChI=1S/C20H17ClN2O2S/c1-13-11-15(7-9-18(13)25-2)17-12-26-20(22-17)23-19(24)10-8-14-5-3-4-6-16(14)21/h3-12H,1-2H3,(H,22,23,24)
InChIKeyLLKONKSGXGRWQW-UHFFFAOYSA-N
MW384.89 g/mol
LogP5.43
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 4682996) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID4682996
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCOc1ccc(-c2csc(NC(=O)C=Cc3ccccc3Cl)n2)cc1C
InChIInChI=1S/C20H17ClN2O2S/c1-13-11-15(7-9-18(13)25-2)17-12-26-20(22-17)23-19(24)10-8-14-5-3-4-6-16(14)21/h3-12H,1-2H3,(H,22,23,24)
InChIKeyLLKONKSGXGRWQW-UHFFFAOYSA-N
XLogP5.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.89
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4142769
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4138405
3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4172401
(E)-3-(2-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 2679319
(E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 8511573
3-(3,5-dichloro-2-methoxyphenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5218469
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 7583048
(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 17341095
(E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 49319838
(E)-3-(2-chlorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 122286007
2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5136321
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 99140772

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 4682996) is 3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is COc1ccc(-c2csc(NC(=O)C=Cc3ccccc3Cl)n2)cc1C.
What is the InChIKey of 3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is LLKONKSGXGRWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-13-11-15(7-9-18(13)25-2)17-12-26-20(22-17)23-19(24)10-8-14-5-3-4-6-16(14)21/h3-12H,1-2H3,(H,22,23,24).
What are the key properties of 3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 384.89 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 4682996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).