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

C12H11F3N2S — CID 105145408

IUPAC(4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ncsc1C(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2S/c1-7-11(18-6-17-7)10(16)8-4-2-3-5-9(8)12(13,14)15/h2-6,10H,16H2,1H3
InChIKeyMRZJXCDUVZUXOS-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.52
Rot. Bonds2

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

(4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 105145408) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID105145408
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ncsc1C(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2S/c1-7-11(18-6-17-7)10(16)8-4-2-3-5-9(8)12(13,14)15/h2-6,10H,16H2,1H3
InChIKeyMRZJXCDUVZUXOS-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine
CID 10130445
1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 61332053
(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145381
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709911
(6-methyl-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 63556299
(3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105090551
1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine
CID 130565104
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 138045786
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
(4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853844
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
(3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853868

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine (CID 105145408) is (4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine is Cc1ncsc1C(N)c1ccccc1C(F)(F)F.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is MRZJXCDUVZUXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-7-11(18-6-17-7)10(16)8-4-2-3-5-9(8)12(13,14)15/h2-6,10H,16H2,1H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
(4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 272.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 105145408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).