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

C12H11F3N2S — CID 43559003

IUPAC(5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cnc(C(N)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C12H11F3N2S/c1-7-6-17-11(18-7)10(16)8-2-4-9(5-3-8)12(13,14)15/h2-6,10H,16H2,1H3
InChIKeyUGYJHGVMGHUNTG-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.52
Rot. Bonds2

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

(5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 43559003) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is (5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID43559003
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name(5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cnc(C(N)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C12H11F3N2S/c1-7-6-17-11(18-7)10(16)8-2-4-9(5-3-8)12(13,14)15/h2-6,10H,16H2,1H3
InChIKeyUGYJHGVMGHUNTG-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

(5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 43558963
(4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559043
(3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559005
(5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 79992170
(5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559026
(S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144422
(5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 139270761
[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
CID 43100339
ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 145107737
(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115852240
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944
(4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 106877167

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine (CID 43559003) is (5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine is Cc1cnc(C(N)c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of (5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is UGYJHGVMGHUNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-7-6-17-11(18-7)10(16)8-2-4-9(5-3-8)12(13,14)15/h2-6,10H,16H2,1H3.
What are the key properties of (5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
(5-methyl-1,3-thiazol-2-yl)-[4-(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 (5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43559003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).