N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

C12H11F3N2S — CID 93202751

IUPACN-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESCNc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C12H11F3N2S/c1-16-11-17-7-10(18-11)6-8-3-2-4-9(5-8)12(13,14)15/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyVAOXOGKJQPRZNM-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.79
Rot. Bonds3

About N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 93202751) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID93202751
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESCNc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C12H11F3N2S/c1-16-11-17-7-10(18-11)6-8-3-2-4-9(5-8)12(13,14)15/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyVAOXOGKJQPRZNM-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 51328951
3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119698306
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47059650
3-fluoro-4-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 112823123
4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 37038090
2,3-dimethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 24575784
3-ethyl-1-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 46970156
2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 18836246
4-[[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]carbamoylamino]butanoic acid
CID 122074596
6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 45267552
2-(4-phenylmethoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 18836254
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6490726

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (CID 93202751) is N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is CNc1ncc(Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is VAOXOGKJQPRZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-16-11-17-7-10(18-11)6-8-3-2-4-9(5-8)12(13,14)15/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 272.30 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 93202751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).