N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C11H13F2N3O2S — CID 107482486

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)N(CCO)CC(F)F
InChIInChI=1S/C11H13F2N3O2S/c12-9(13)7-15(1-3-17)10(18)5-8-6-16-2-4-19-11(16)14-8/h2,4,6,9,17H,1,3,5,7H2
InChIKeyRKQRZRYFILSXDA-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.02
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 107482486) has the molecular formula C11H13F2N3O2S and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID107482486
Molecular FormulaC11H13F2N3O2S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)N(CCO)CC(F)F
InChIInChI=1S/C11H13F2N3O2S/c12-9(13)7-15(1-3-17)10(18)5-8-6-16-2-4-19-11(16)14-8/h2,4,6,9,17H,1,3,5,7H2
InChIKeyRKQRZRYFILSXDA-UHFFFAOYSA-N
XLogP1.02
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 107482486) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is O=C(Cc1cn2ccsc2n1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is RKQRZRYFILSXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2S/c12-9(13)7-15(1-3-17)10(18)5-8-6-16-2-4-19-11(16)14-8/h2,4,6,9,17H,1,3,5,7H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 289.31 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 107482486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).