3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine

C6H8F2N2S — CID 177223341

IUPAC3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine
SMILESCNc1cc(C(C)(F)F)ns1
InChIInChI=1S/C6H8F2N2S/c1-6(7,8)4-3-5(9-2)11-10-4/h3,9H,1-2H3
InChIKeyXRMJTJGJXGAGTF-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.30
Rot. Bonds2

About 3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine

3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine (PubChem CID 177223341) has the molecular formula C6H8F2N2S and a molecular weight of 178.21 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine
PubChem CID177223341
Molecular FormulaC6H8F2N2S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine
SMILESCNc1cc(C(C)(F)F)ns1
InChIInChI=1S/C6H8F2N2S/c1-6(7,8)4-3-5(9-2)11-10-4/h3,9H,1-2H3
InChIKeyXRMJTJGJXGAGTF-UHFFFAOYSA-N
XLogP2.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine 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 3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine?
The IUPAC name of 3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine (CID 177223341) is 3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine?
The canonical SMILES for 3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine is CNc1cc(C(C)(F)F)ns1.
What is the InChIKey of 3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine?
The InChIKey is XRMJTJGJXGAGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2S/c1-6(7,8)4-3-5(9-2)11-10-4/h3,9H,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine?
3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine has a molecular weight of 178.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 177223341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).