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

C13H13F3N2OS — CID 106785356

IUPAC(3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOc1cc(C(N)c2cnc(C(F)(F)F)s2)ccc1C
InChIInChI=1S/C13H13F3N2OS/c1-7-3-4-8(5-9(7)19-2)11(17)10-6-18-12(20-10)13(14,15)16/h3-6,11H,17H2,1-2H3
InChIKeyKANGJAPTOIWHEL-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.53
Rot. Bonds3

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

(3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106785356) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106785356
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC Name(3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOc1cc(C(N)c2cnc(C(F)(F)F)s2)ccc1C
InChIInChI=1S/C13H13F3N2OS/c1-7-3-4-8(5-9(7)19-2)11(17)10-6-18-12(20-10)13(14,15)16/h3-6,11H,17H2,1-2H3
InChIKeyKANGJAPTOIWHEL-UHFFFAOYSA-N
XLogP3.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782078
(3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782148
quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783220
(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine
CID 115827248
(4-methyl-3-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783767
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786008
(1R)-4,4,4-trifluoro-1-(3-methoxy-4-methylphenyl)butan-1-amine
CID 171205463
(5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785774
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439
(2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 43344866
(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105031995

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of (3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106785356) is (3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for (3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is COc1cc(C(N)c2cnc(C(F)(F)F)s2)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is KANGJAPTOIWHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-7-3-4-8(5-9(7)19-2)11(17)10-6-18-12(20-10)13(14,15)16/h3-6,11H,17H2,1-2H3.
What are the key properties of (3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
(3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 302.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106785356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).