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

C11H13F2N3O2S — CID 106168638

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCc1cn2c(CC(=O)NCC(F)(F)CO)csc2n1
InChIInChI=1S/C11H13F2N3O2S/c1-7-3-16-8(4-19-10(16)15-7)2-9(18)14-5-11(12,13)6-17/h3-4,17H,2,5-6H2,1H3,(H,14,18)
InChIKeyTVRYEGPYZKQXQB-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.99
Rot. Bonds5

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

N-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 106168638) has the molecular formula C11H13F2N3O2S and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID106168638
Molecular FormulaC11H13F2N3O2S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCc1cn2c(CC(=O)NCC(F)(F)CO)csc2n1
InChIInChI=1S/C11H13F2N3O2S/c1-7-3-16-8(4-19-10(16)15-7)2-9(18)14-5-11(12,13)6-17/h3-4,17H,2,5-6H2,1H3,(H,14,18)
InChIKeyTVRYEGPYZKQXQB-UHFFFAOYSA-N
XLogP0.99
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 106168638) is N-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is Cc1cn2c(CC(=O)NCC(F)(F)CO)csc2n1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is TVRYEGPYZKQXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2S/c1-7-3-16-8(4-19-10(16)15-7)2-9(18)14-5-11(12,13)6-17/h3-4,17H,2,5-6H2,1H3,(H,14,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 289.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 106168638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).