2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C15H12F3N3O2S — CID 134799553

IUPAC2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(-c2cn3cc(C(=O)NCC(F)(F)F)nc3s2)cc1
InChIInChI=1S/C15H12F3N3O2S/c1-23-10-4-2-9(3-5-10)12-7-21-6-11(20-14(21)24-12)13(22)19-8-15(16,17)18/h2-7H,8H2,1H3,(H,19,22)
InChIKeyQLPDKEDIPFOBBC-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.36
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134799553) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134799553
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC Name2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(-c2cn3cc(C(=O)NCC(F)(F)F)nc3s2)cc1
InChIInChI=1S/C15H12F3N3O2S/c1-23-10-4-2-9(3-5-10)12-7-21-6-11(20-14(21)24-12)13(22)19-8-15(16,17)18/h2-7H,8H2,1H3,(H,19,22)
InChIKeyQLPDKEDIPFOBBC-UHFFFAOYSA-N
XLogP3.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134799553) is 2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1ccc(-c2cn3cc(C(=O)NCC(F)(F)F)nc3s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is QLPDKEDIPFOBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c1-23-10-4-2-9(3-5-10)12-7-21-6-11(20-14(21)24-12)13(22)19-8-15(16,17)18/h2-7H,8H2,1H3,(H,19,22).
What are the key properties of 2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 355.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134799553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).