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

C24H25BrN2O2S — CID 19228648

IUPAC(E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccccc1/C=C/C(=O)Nc1nc(-c2ccc(Br)cc2)c(CC)s1
InChIInChI=1S/C24H25BrN2O2S/c1-3-5-16-29-20-9-7-6-8-17(20)12-15-22(28)26-24-27-23(21(4-2)30-24)18-10-13-19(25)14-11-18/h6-15H,3-5,16H2,1-2H3,(H,26,27,28)/b15-12+
InChIKeyGTFXHNJCXPLRJP-NTCAYCPXSA-N
MW485.45 g/mol
LogP6.97
Rot. Bonds9

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

(E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide (PubChem CID 19228648) has the molecular formula C24H25BrN2O2S and a molecular weight of 485.45 g/mol. Its IUPAC name is (E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide
PubChem CID19228648
Molecular FormulaC24H25BrN2O2S
Molecular Weight485.45 g/mol
Exact Mass484.08
IUPAC Name(E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccccc1/C=C/C(=O)Nc1nc(-c2ccc(Br)cc2)c(CC)s1
InChIInChI=1S/C24H25BrN2O2S/c1-3-5-16-29-20-9-7-6-8-17(20)12-15-22(28)26-24-27-23(21(4-2)30-24)18-10-13-19(25)14-11-18/h6-15H,3-5,16H2,1-2H3,(H,26,27,28)/b15-12+
InChIKeyGTFXHNJCXPLRJP-NTCAYCPXSA-N
XLogP6.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.45
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide with MolForge

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Related Compounds

ethyl 2-[3-(2-butoxyphenyl)prop-2-enoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 5189387
3-(2-butoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 5050313
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 19226508
3-(2-butoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3325625
(E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide
CID 53267575
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide
CID 19229213
(E)-3-(2-butoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 19202304
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 19227971
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
CID 5045693
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]butanamide
CID 19229060
2-(4-bromophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5227913

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide (CID 19228648) is (E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide is CCCCOc1ccccc1/C=C/C(=O)Nc1nc(-c2ccc(Br)cc2)c(CC)s1.
What is the InChIKey of (E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide?
The InChIKey is GTFXHNJCXPLRJP-NTCAYCPXSA-N. The full InChI is InChI=1S/C24H25BrN2O2S/c1-3-5-16-29-20-9-7-6-8-17(20)12-15-22(28)26-24-27-23(21(4-2)30-24)18-10-13-19(25)14-11-18/h6-15H,3-5,16H2,1-2H3,(H,26,27,28)/b15-12+.
What are the key properties of (E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide?
(E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide has a molecular weight of 485.45 g/mol, XLogP of 6.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19228648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).