(E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one

C17H13F3N2O3S — CID 51353472

IUPAC(E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2c(C(F)(F)F)nc3sccn23)cc1OC
InChIInChI=1S/C17H13F3N2O3S/c1-24-13-6-3-10(9-14(13)25-2)12(23)5-4-11-15(17(18,19)20)21-16-22(11)7-8-26-16/h3-9H,1-2H3/b5-4+
InChIKeyYFHAPMJANPJPAS-SNAWJCMRSA-N
MW382.36 g/mol
LogP4.33
Rot. Bonds5

About (E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one

(E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one (PubChem CID 51353472) has the molecular formula C17H13F3N2O3S and a molecular weight of 382.36 g/mol. Its IUPAC name is (E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
PubChem CID51353472
Molecular FormulaC17H13F3N2O3S
Molecular Weight382.36 g/mol
Exact Mass382.06
IUPAC Name(E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2c(C(F)(F)F)nc3sccn23)cc1OC
InChIInChI=1S/C17H13F3N2O3S/c1-24-13-6-3-10(9-14(13)25-2)12(23)5-4-11-15(17(18,19)20)21-16-22(11)7-8-26-16/h3-9H,1-2H3/b5-4+
InChIKeyYFHAPMJANPJPAS-SNAWJCMRSA-N
XLogP4.33
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[6-(4-methoxyphenyl)imidazo[2,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
CID 51353293
(E)-3-[6-(4-fluorophenyl)imidazo[2,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
CID 51353352
(E)-3-[6-(4-fluorophenyl)-2-methylimidazo[2,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
CID 51353357
3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
CID 3238659
N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-3,4-dimethoxybenzamide
CID 7151241
(3,4-dimethoxyphenyl)(1-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-3-piperidinyl)methanone
CID 16189077
(E)-3-[6-(trifluoromethyl)imidazo[2,3]thiazol-5-yl]-1-(3,4,5trimethoxyphenyl)-2-propen-1-one
CID 50908741
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide
CID 3242965
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide
CID 5310446
(E)-1-(3,5-difluorophenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
CID 51353477
[2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-imidazo[2,1-b][1,3]thiazol-5-ylacetate
CID 2997738
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one
CID 25334403

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one (CID 51353472) is (E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one is COc1ccc(C(=O)/C=C/c2c(C(F)(F)F)nc3sccn23)cc1OC.
What is the InChIKey of (E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one?
The InChIKey is YFHAPMJANPJPAS-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H13F3N2O3S/c1-24-13-6-3-10(9-14(13)25-2)12(23)5-4-11-15(17(18,19)20)21-16-22(11)7-8-26-16/h3-9H,1-2H3/b5-4+.
What are the key properties of (E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one?
(E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one has a molecular weight of 382.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one is sourced from PubChem (CID 51353472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).