(E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

C20H18N2OS — CID 730245

IUPAC(E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
SMILESCc1ccc(-c2nc(NC(=O)/C=C/c3ccccc3)sc2C)cc1
InChIInChI=1S/C20H18N2OS/c1-14-8-11-17(12-9-14)19-15(2)24-20(22-19)21-18(23)13-10-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,21,22,23)/b13-10+
InChIKeySTCDXGRILXLGOY-JLHYYAGUSA-N
MW334.44 g/mol
LogP5.08
Rot. Bonds4

About (E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

(E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide (PubChem CID 730245) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is (E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
PubChem CID730245
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name(E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
SMILESCc1ccc(-c2nc(NC(=O)/C=C/c3ccccc3)sc2C)cc1
InChIInChI=1S/C20H18N2OS/c1-14-8-11-17(12-9-14)19-15(2)24-20(22-19)21-18(23)13-10-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,21,22,23)/b13-10+
InChIKeySTCDXGRILXLGOY-JLHYYAGUSA-N
XLogP5.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.08
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

3-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1292001
(E)-3-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 7958407
4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 843290
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 4140632
(E)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 1047668
3-(2,6-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4113800
(E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 19212281
(E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide
CID 19211880
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 6116402
(E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 7916085
(E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1182206
(E)-3-[4-(difluoromethoxy)phenyl]-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 18205332

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide (CID 730245) is (E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is Cc1ccc(-c2nc(NC(=O)/C=C/c3ccccc3)sc2C)cc1.
What is the InChIKey of (E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The InChIKey is STCDXGRILXLGOY-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-14-8-11-17(12-9-14)19-15(2)24-20(22-19)21-18(23)13-10-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,21,22,23)/b13-10+.
What are the key properties of (E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
(E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide has a molecular weight of 334.44 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 730245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).