(E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide

C19H15BrN2OS — CID 26176564

IUPAC(E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
SMILESCc1csc(N(C(=O)/C=C/c2cccc(Br)c2)c2ccccc2)n1
InChIInChI=1S/C19H15BrN2OS/c1-14-13-24-19(21-14)22(17-8-3-2-4-9-17)18(23)11-10-15-6-5-7-16(20)12-15/h2-13H,1H3/b11-10+
InChIKeyMQYCDIAMTCKPMV-ZHACJKMWSA-N
MW399.31 g/mol
LogP5.59
Rot. Bonds4

About (E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide

(E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide (PubChem CID 26176564) has the molecular formula C19H15BrN2OS and a molecular weight of 399.31 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
PubChem CID26176564
Molecular FormulaC19H15BrN2OS
Molecular Weight399.31 g/mol
Exact Mass398.01
IUPAC Name(E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
SMILESCc1csc(N(C(=O)/C=C/c2cccc(Br)c2)c2ccccc2)n1
InChIInChI=1S/C19H15BrN2OS/c1-14-13-24-19(21-14)22(17-8-3-2-4-9-17)18(23)11-10-15-6-5-7-16(20)12-15/h2-13H,1H3/b11-10+
InChIKeyMQYCDIAMTCKPMV-ZHACJKMWSA-N
XLogP5.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.31
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 43616649
(E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 26176537
2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 7917594
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108906932
(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 9206281
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylthiophene-2-carboxamide
CID 9110040
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(3-chlorophenyl)prop-2-enoate
CID 8603586
3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 62727733
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253
2,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
CID 43024651
2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide
CID 78778238
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide
CID 75415495

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide (CID 26176564) is (E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide is Cc1csc(N(C(=O)/C=C/c2cccc(Br)c2)c2ccccc2)n1.
What is the InChIKey of (E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The InChIKey is MQYCDIAMTCKPMV-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H15BrN2OS/c1-14-13-24-19(21-14)22(17-8-3-2-4-9-17)18(23)11-10-15-6-5-7-16(20)12-15/h2-13H,1H3/b11-10+.
What are the key properties of (E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
(E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide has a molecular weight of 399.31 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide is sourced from PubChem (CID 26176564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).