N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C12H12F2N2O2S2 — CID 103770103

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCC(O)C(F)F
InChIInChI=1S/C12H12F2N2O2S2/c13-11(14)9(17)4-15-10(18)3-8-6-20-12(16-8)7-1-2-19-5-7/h1-2,5-6,9,11,17H,3-4H2,(H,15,18)
InChIKeyPAQJEFUSGAMYKG-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.16
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 103770103) has the molecular formula C12H12F2N2O2S2 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID103770103
Molecular FormulaC12H12F2N2O2S2
Molecular Weight318.37 g/mol
Exact Mass318.03
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCC(O)C(F)F
InChIInChI=1S/C12H12F2N2O2S2/c13-11(14)9(17)4-15-10(18)3-8-6-20-12(16-8)7-1-2-19-5-7/h1-2,5-6,9,11,17H,3-4H2,(H,15,18)
InChIKeyPAQJEFUSGAMYKG-UHFFFAOYSA-N
XLogP2.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide 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)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 103770103) is N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccsc2)n1)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PAQJEFUSGAMYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2S2/c13-11(14)9(17)4-15-10(18)3-8-6-20-12(16-8)7-1-2-19-5-7/h1-2,5-6,9,11,17H,3-4H2,(H,15,18).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 318.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 103770103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).