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

C13H13F3N2OS — CID 115468303

IUPAC[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1nc(Oc2ccc(CN)cc2C(F)(F)F)sc1C
InChIInChI=1S/C13H13F3N2OS/c1-7-8(2)20-12(18-7)19-11-4-3-9(6-17)5-10(11)13(14,15)16/h3-5H,6,17H2,1-2H3
InChIKeyALCJWWHVNQQYRT-UHFFFAOYSA-N
MW302.32 g/mol
LogP4.03
Rot. Bonds3

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

[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 115468303) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine
PubChem CID115468303
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC Name[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1nc(Oc2ccc(CN)cc2C(F)(F)F)sc1C
InChIInChI=1S/C13H13F3N2OS/c1-7-8(2)20-12(18-7)19-11-4-3-9(6-17)5-10(11)13(14,15)16/h3-5H,6,17H2,1-2H3
InChIKeyALCJWWHVNQQYRT-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468322
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline
CID 65169068
[4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468319
[4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468310
[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
CID 63319479
[4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
CID 106550477
[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine
CID 65472528
[4-pyridin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468298
[4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine
CID 106504792
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline
CID 65168674
[4-(3-ethoxypropoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 65175971
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-methoxyaniline
CID 65168671

Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine (CID 115468303) is [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine is Cc1nc(Oc2ccc(CN)cc2C(F)(F)F)sc1C.
What is the InChIKey of [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ALCJWWHVNQQYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-7-8(2)20-12(18-7)19-11-4-3-9(6-17)5-10(11)13(14,15)16/h3-5H,6,17H2,1-2H3.
What are the key properties of [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine?
[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 302.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115468303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).