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

C7H8F2N2O2S — CID 103769815

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cncs1
InChIInChI=1S/C7H8F2N2O2S/c8-6(9)4(12)1-11-7(13)5-2-10-3-14-5/h2-4,6,12H,1H2,(H,11,13)
InChIKeyCNUJWHXCKFDFBZ-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.50
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide (PubChem CID 103769815) has the molecular formula C7H8F2N2O2S and a molecular weight of 222.22 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide
PubChem CID103769815
Molecular FormulaC7H8F2N2O2S
Molecular Weight222.22 g/mol
Exact Mass222.03
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cncs1
InChIInChI=1S/C7H8F2N2O2S/c8-6(9)4(12)1-11-7(13)5-2-10-3-14-5/h2-4,6,12H,1H2,(H,11,13)
InChIKeyCNUJWHXCKFDFBZ-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-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide (CID 103769815) is N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide is O=C(NCC(O)C(F)F)c1cncs1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CNUJWHXCKFDFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2S/c8-6(9)4(12)1-11-7(13)5-2-10-3-14-5/h2-4,6,12H,1H2,(H,11,13).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103769815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).