(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

C17H14F3N3OS — CID 24559408

IUPAC(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)Nc3cccc(C(F)(F)F)c3)c(C)nc2s1
InChIInChI=1S/C17H14F3N3OS/c1-10-9-23-14(11(2)21-16(23)25-10)6-7-15(24)22-13-5-3-4-12(8-13)17(18,19)20/h3-9H,1-2H3,(H,22,24)/b7-6+
InChIKeyILGYVNGXGPERPR-VOTSOKGWSA-N
MW365.38 g/mol
LogP4.68
Rot. Bonds3

About (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 24559408) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID24559408
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)Nc3cccc(C(F)(F)F)c3)c(C)nc2s1
InChIInChI=1S/C17H14F3N3OS/c1-10-9-23-14(11(2)21-16(23)25-10)6-7-15(24)22-13-5-3-4-12(8-13)17(18,19)20/h3-9H,1-2H3,(H,22,24)/b7-6+
InChIKeyILGYVNGXGPERPR-VOTSOKGWSA-N
XLogP4.68
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.68
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

3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531
(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4615195
(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide
CID 127125729
(E)-N-(dicyclopropylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 75362297
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
CID 24617864
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501440
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121082445
1-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 4279080
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
(E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 15133402

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 24559408) is (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is Cc1cn2c(/C=C/C(=O)Nc3cccc(C(F)(F)F)c3)c(C)nc2s1.
What is the InChIKey of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is ILGYVNGXGPERPR-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-10-9-23-14(11(2)21-16(23)25-10)6-7-15(24)22-13-5-3-4-12(8-13)17(18,19)20/h3-9H,1-2H3,(H,22,24)/b7-6+.
What are the key properties of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 365.38 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 24559408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).