(E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide

C20H17ClN2O2S — CID 7916085

IUPAC(E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
SMILESCOc1ccc(-c2nc(NC(=O)/C=C/c3ccc(Cl)cc3)sc2C)cc1
InChIInChI=1S/C20H17ClN2O2S/c1-13-19(15-6-10-17(25-2)11-7-15)23-20(26-13)22-18(24)12-5-14-3-8-16(21)9-4-14/h3-12H,1-2H3,(H,22,23,24)/b12-5+
InChIKeyIJFDUQZMSPUGKM-LFYBBSHMSA-N
MW384.89 g/mol
LogP5.43
Rot. Bonds5

About (E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 7916085) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID7916085
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name(E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
SMILESCOc1ccc(-c2nc(NC(=O)/C=C/c3ccc(Cl)cc3)sc2C)cc1
InChIInChI=1S/C20H17ClN2O2S/c1-13-19(15-6-10-17(25-2)11-7-15)23-20(26-13)22-18(24)12-5-14-3-8-16(21)9-4-14/h3-12H,1-2H3,(H,22,23,24)/b12-5+
InChIKeyIJFDUQZMSPUGKM-LFYBBSHMSA-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

3-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1292001
(E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide
CID 19211880
(E)-3-[4-(difluoromethoxy)phenyl]-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 18205332
N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide
CID 46569043
(E)-3-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 7958407
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 19226922
(E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 730245
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 3702145
(E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 108761118
(E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 19212281
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 4140632
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide (CID 7916085) is (E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide is COc1ccc(-c2nc(NC(=O)/C=C/c3ccc(Cl)cc3)sc2C)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is IJFDUQZMSPUGKM-LFYBBSHMSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-13-19(15-6-10-17(25-2)11-7-15)23-20(26-13)22-18(24)12-5-14-3-8-16(21)9-4-14/h3-12H,1-2H3,(H,22,23,24)/b12-5+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-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 (E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 7916085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).