(Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

C20H17BrN2O2S — CID 1191937

IUPAC(Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
SMILESCCOc1ccc(-c2csc(NC(=O)/C(Br)=C/c3ccccc3)n2)cc1
InChIInChI=1S/C20H17BrN2O2S/c1-2-25-16-10-8-15(9-11-16)18-13-26-20(22-18)23-19(24)17(21)12-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23,24)/b17-12-
InChIKeyWOSODYUWKXOPNY-ATVHPVEESA-N
MW429.34 g/mol
LogP5.58
Rot. Bonds6

About (Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

(Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide (PubChem CID 1191937) has the molecular formula C20H17BrN2O2S and a molecular weight of 429.34 g/mol. Its IUPAC name is (Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
PubChem CID1191937
Molecular FormulaC20H17BrN2O2S
Molecular Weight429.34 g/mol
Exact Mass428.02
IUPAC Name(Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
SMILESCCOc1ccc(-c2csc(NC(=O)/C(Br)=C/c3ccccc3)n2)cc1
InChIInChI=1S/C20H17BrN2O2S/c1-2-25-16-10-8-15(9-11-16)18-13-26-20(22-18)23-19(24)17(21)12-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23,24)/b17-12-
InChIKeyWOSODYUWKXOPNY-ATVHPVEESA-N
XLogP5.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.34
LogP ≤ 55.58
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-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1186581
(E)-2-cyano-3-(4-ethoxyphenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 7928001
4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoate
CID 4746122
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173189
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4184713
2-(2-bromo-4-phenylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173196
4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19205233
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521249

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide (CID 1191937) is (Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is CCOc1ccc(-c2csc(NC(=O)/C(Br)=C/c3ccccc3)n2)cc1.
What is the InChIKey of (Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The InChIKey is WOSODYUWKXOPNY-ATVHPVEESA-N. The full InChI is InChI=1S/C20H17BrN2O2S/c1-2-25-16-10-8-15(9-11-16)18-13-26-20(22-18)23-19(24)17(21)12-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23,24)/b17-12-.
What are the key properties of (Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
(Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide has a molecular weight of 429.34 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 1191937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).