4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine

C11H10F2N2S — CID 4789231

IUPAC4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(F)c(F)c2)c(C)s1
InChIInChI=1S/C11H10F2N2S/c1-6-10(15-11(14-2)16-6)7-3-4-8(12)9(13)5-7/h3-5H,1-2H3,(H,14,15)
InChIKeyISHILOFTJCYIJW-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.44
Rot. Bonds2

About 4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine

4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 4789231) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
PubChem CID4789231
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(F)c(F)c2)c(C)s1
InChIInChI=1S/C11H10F2N2S/c1-6-10(15-11(14-2)16-6)7-3-4-8(12)9(13)5-7/h3-5H,1-2H3,(H,14,15)
InChIKeyISHILOFTJCYIJW-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-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 4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine (CID 4789231) is 4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine is CNc1nc(-c2ccc(F)c(F)c2)c(C)s1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is ISHILOFTJCYIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c1-6-10(15-11(14-2)16-6)7-3-4-8(12)9(13)5-7/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine?
4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 240.28 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 4789231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).