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

C12H11F3N2S — CID 14667162

IUPAC[2-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1ccc(-c2nc(C(F)(F)F)c(CN)s2)cc1
InChIInChI=1S/C12H11F3N2S/c1-7-2-4-8(5-3-7)11-17-10(12(13,14)15)9(6-16)18-11/h2-5H,6,16H2,1H3
InChIKeyMVCMJYAKSDBYPD-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.60
Rot. Bonds2

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

[2-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 14667162) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is [2-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID14667162
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name[2-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1ccc(-c2nc(C(F)(F)F)c(CN)s2)cc1
InChIInChI=1S/C12H11F3N2S/c1-7-2-4-8(5-3-7)11-17-10(12(13,14)15)9(6-16)18-11/h2-5H,6,16H2,1H3
InChIKeyMVCMJYAKSDBYPD-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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 14667162) is [2-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is Cc1ccc(-c2nc(C(F)(F)F)c(CN)s2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is MVCMJYAKSDBYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-7-2-4-8(5-3-7)11-17-10(12(13,14)15)9(6-16)18-11/h2-5H,6,16H2,1H3.
What are the key properties of [2-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
[2-(4-methylphenyl)-4-(trifluoromethyl)-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 [2-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 14667162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).