N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C10H14F2N2O2S — CID 107483015

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N(CCO)CC(F)F)cs1
InChIInChI=1S/C10H14F2N2O2S/c1-7-13-8(6-17-7)4-10(16)14(2-3-15)5-9(11)12/h6,9,15H,2-5H2,1H3
InChIKeyDZHXUZJJXWRRNV-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.08
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 107483015) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID107483015
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N(CCO)CC(F)F)cs1
InChIInChI=1S/C10H14F2N2O2S/c1-7-13-8(6-17-7)4-10(16)14(2-3-15)5-9(11)12/h6,9,15H,2-5H2,1H3
InChIKeyDZHXUZJJXWRRNV-UHFFFAOYSA-N
XLogP1.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 107483015) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N(CCO)CC(F)F)cs1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is DZHXUZJJXWRRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-7-13-8(6-17-7)4-10(16)14(2-3-15)5-9(11)12/h6,9,15H,2-5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 264.30 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 107483015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).