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

C12H15F2N3O2S — CID 107482949

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCc1cn2c(CC(=O)N(CCO)CC(F)F)csc2n1
InChIInChI=1S/C12H15F2N3O2S/c1-8-5-17-9(7-20-12(17)15-8)4-11(19)16(2-3-18)6-10(13)14/h5,7,10,18H,2-4,6H2,1H3
InChIKeyJUVHAPJXFQJMRQ-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.33
Rot. Bonds6

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 107482949) has the molecular formula C12H15F2N3O2S and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID107482949
Molecular FormulaC12H15F2N3O2S
Molecular Weight303.33 g/mol
Exact Mass303.09
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCc1cn2c(CC(=O)N(CCO)CC(F)F)csc2n1
InChIInChI=1S/C12H15F2N3O2S/c1-8-5-17-9(7-20-12(17)15-8)4-11(19)16(2-3-18)6-10(13)14/h5,7,10,18H,2-4,6H2,1H3
InChIKeyJUVHAPJXFQJMRQ-UHFFFAOYSA-N
XLogP1.33
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.33
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-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 107482949) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is Cc1cn2c(CC(=O)N(CCO)CC(F)F)csc2n1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is JUVHAPJXFQJMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2S/c1-8-5-17-9(7-20-12(17)15-8)4-11(19)16(2-3-18)6-10(13)14/h5,7,10,18H,2-4,6H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 303.33 g/mol, XLogP of 1.33, 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-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 107482949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).