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

C19H14BrClN2OS — CID 19211880

IUPAC(E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide
SMILESCc1sc(NC(=O)/C=C/c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C19H14BrClN2OS/c1-12-18(14-5-7-15(20)8-6-14)23-19(25-12)22-17(24)11-4-13-2-9-16(21)10-3-13/h2-11H,1H3,(H,22,23,24)/b11-4+
InChIKeyFGSBDMRHBSHINJ-NYYWCZLTSA-N
MW433.76 g/mol
LogP6.19
Rot. Bonds4

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

(E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 19211880) has the molecular formula C19H14BrClN2OS and a molecular weight of 433.76 g/mol. Its IUPAC name is (E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide
PubChem CID19211880
Molecular FormulaC19H14BrClN2OS
Molecular Weight433.76 g/mol
Exact Mass431.97
IUPAC Name(E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide
SMILESCc1sc(NC(=O)/C=C/c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C19H14BrClN2OS/c1-12-18(14-5-7-15(20)8-6-14)23-19(25-12)22-17(24)11-4-13-2-9-16(21)10-3-13/h2-11H,1H3,(H,22,23,24)/b11-4+
InChIKeyFGSBDMRHBSHINJ-NYYWCZLTSA-N
XLogP6.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.76
LogP ≤ 56.19
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

(E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 19212281
(E)-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 7916085
(E)-3-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 7958407
(E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 730245
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 4140632
3-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1292001
3-(4-bromophenyl)-N-(6-chloro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 4598308
3-(2,6-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4113800
(E)-3-[4-(difluoromethoxy)phenyl]-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 18205332
(E)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 1047668
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 76870485
(E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 57403076

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide (CID 19211880) is (E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide is Cc1sc(NC(=O)/C=C/c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of (E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is FGSBDMRHBSHINJ-NYYWCZLTSA-N. The full InChI is InChI=1S/C19H14BrClN2OS/c1-12-18(14-5-7-15(20)8-6-14)23-19(25-12)22-17(24)11-4-13-2-9-16(21)10-3-13/h2-11H,1H3,(H,22,23,24)/b11-4+.
What are the key properties of (E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 433.76 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 19211880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).