N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C12H14F3N3O2S — CID 107483407

IUPACN-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cn2c(CC(=O)N(CCO)CC(F)(F)F)csc2n1
InChIInChI=1S/C12H14F3N3O2S/c1-8-5-18-9(6-21-11(18)16-8)4-10(20)17(2-3-19)7-12(13,14)15/h5-6,19H,2-4,7H2,1H3
InChIKeyYIYSGBUYUNUGBC-UHFFFAOYSA-N
MW321.32 g/mol
LogP1.63
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107483407) has the molecular formula C12H14F3N3O2S and a molecular weight of 321.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107483407
Molecular FormulaC12H14F3N3O2S
Molecular Weight321.32 g/mol
Exact Mass321.08
IUPAC NameN-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cn2c(CC(=O)N(CCO)CC(F)(F)F)csc2n1
InChIInChI=1S/C12H14F3N3O2S/c1-8-5-18-9(6-21-11(18)16-8)4-10(20)17(2-3-19)7-12(13,14)15/h5-6,19H,2-4,7H2,1H3
InChIKeyYIYSGBUYUNUGBC-UHFFFAOYSA-N
XLogP1.63
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 107483407) is N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1cn2c(CC(=O)N(CCO)CC(F)(F)F)csc2n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YIYSGBUYUNUGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2S/c1-8-5-18-9(6-21-11(18)16-8)4-10(20)17(2-3-19)7-12(13,14)15/h5-6,19H,2-4,7H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 321.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107483407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).