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

C12H11F3N2S — CID 43558967

IUPAC(5-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1cnc(C(N)c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C12H11F3N2S/c1-7-6-17-11(18-7)10(16)8-4-2-3-5-9(8)12(13,14)15/h2-6,10H,16H2,1H3
InChIKeyCYIZJJXNKNLYRV-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.52
Rot. Bonds2

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

(5-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 43558967) 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)-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID43558967
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name(5-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1cnc(C(N)c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C12H11F3N2S/c1-7-6-17-11(18-7)10(16)8-4-2-3-5-9(8)12(13,14)15/h2-6,10H,16H2,1H3
InChIKeyCYIZJJXNKNLYRV-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

(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
Phenyl(1,3-thiazol-2-yl)methanamine
CID 20773071
alpha-(Phenylmethyl)-2-thiazolemethanamine
CID 369619
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757
[5-(3-Phenylphenyl)-1,3-thiazol-2-yl]methanamine
CID 155557978
Benzyl[(1,3-thiazol-5-yl)methyl]amine
CID 21710584
(R)-[4-(2-fluorophenyl)phenyl]-(1,3-thiazol-2-yl)methanamine
CID 177693341
N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 134793893
N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 134793971
(S)-2-phenyl-1-(thiazol-2-yl)ethanamine
CID 10198148
2-Methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 57542055

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (5-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methanamine (CID 43558967) is (5-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (5-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (5-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methanamine is Cc1cnc(C(N)c2ccccc2C(F)(F)F)s1.
What is the InChIKey of (5-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is CYIZJJXNKNLYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-7-6-17-11(18-7)10(16)8-4-2-3-5-9(8)12(13,14)15/h2-6,10H,16H2,1H3.
What are the key properties of (5-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methanamine?
(5-methyl-1,3-thiazol-2-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 (5-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43558967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).