[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine

C12H11F3N2S — CID 2783045

IUPAC[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN
InChIInChI=1S/C12H11F3N2S/c1-7-10(6-16)18-11(17-7)8-2-4-9(5-3-8)12(13,14)15/h2-5H,6,16H2,1H3
InChIKeyDUJZUDMEISQWHO-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.60
Rot. Bonds2

About [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine

[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 2783045) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
PubChem CID2783045
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN
InChIInChI=1S/C12H11F3N2S/c1-7-10(6-16)18-11(17-7)8-2-4-9(5-3-8)12(13,14)15/h2-5H,6,16H2,1H3
InChIKeyDUJZUDMEISQWHO-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine 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-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine (CID 2783045) is [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN.
What is the InChIKey of [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is DUJZUDMEISQWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-7-10(6-16)18-11(17-7)8-2-4-9(5-3-8)12(13,14)15/h2-5H,6,16H2,1H3.
What are the key properties of [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine?
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 272.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 2783045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).