N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide

C7H8F2N2O2S — CID 104862899

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cncs1
InChIInChI=1S/C7H8F2N2O2S/c8-7(9,3-12)2-11-6(13)5-1-10-4-14-5/h1,4,12H,2-3H2,(H,11,13)
InChIKeyWRQWIQTVILHKLL-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.50
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide (PubChem CID 104862899) has the molecular formula C7H8F2N2O2S and a molecular weight of 222.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
PubChem CID104862899
Molecular FormulaC7H8F2N2O2S
Molecular Weight222.22 g/mol
Exact Mass222.03
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cncs1
InChIInChI=1S/C7H8F2N2O2S/c8-7(9,3-12)2-11-6(13)5-1-10-4-14-5/h1,4,12H,2-3H2,(H,11,13)
InChIKeyWRQWIQTVILHKLL-UHFFFAOYSA-N
XLogP0.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide 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-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide (CID 104862899) is N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide is O=C(NCC(F)(F)CO)c1cncs1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WRQWIQTVILHKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2S/c8-7(9,3-12)2-11-6(13)5-1-10-4-14-5/h1,4,12H,2-3H2,(H,11,13).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 222.22 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 104862899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).