1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine

C6H8F2N2S — CID 84767605

IUPAC1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(C(F)F)s1
InChIInChI=1S/C6H8F2N2S/c1-9-3-5-10-2-4(11-5)6(7)8/h2,6,9H,3H2,1H3
InChIKeyDWSIXBBDFHDZJT-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.80
Rot. Bonds3

About 1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine

1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 84767605) has the molecular formula C6H8F2N2S and a molecular weight of 178.21 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID84767605
Molecular FormulaC6H8F2N2S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(C(F)F)s1
InChIInChI=1S/C6H8F2N2S/c1-9-3-5-10-2-4(11-5)6(7)8/h2,6,9H,3H2,1H3
InChIKeyDWSIXBBDFHDZJT-UHFFFAOYSA-N
XLogP1.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine 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 1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine (CID 84767605) is 1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine is CNCc1ncc(C(F)F)s1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is DWSIXBBDFHDZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2S/c1-9-3-5-10-2-4(11-5)6(7)8/h2,6,9H,3H2,1H3.
What are the key properties of 1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 178.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 84767605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).