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

C13H13F3N2OS — CID 63319479

IUPAC[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1ncc(COc2ccc(CN)cc2C(F)(F)F)s1
InChIInChI=1S/C13H13F3N2OS/c1-8-18-6-10(20-8)7-19-12-3-2-9(5-17)4-11(12)13(14,15)16/h2-4,6H,5,7,17H2,1H3
InChIKeyNTOFLRKDBKDNIZ-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.51
Rot. Bonds4

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

[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 63319479) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is [4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
PubChem CID63319479
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC Name[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1ncc(COc2ccc(CN)cc2C(F)(F)F)s1
InChIInChI=1S/C13H13F3N2OS/c1-8-18-6-10(20-8)7-19-12-3-2-9(5-17)4-11(12)13(14,15)16/h2-4,6H,5,7,17H2,1H3
InChIKeyNTOFLRKDBKDNIZ-UHFFFAOYSA-N
XLogP3.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine (CID 63319479) is [4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine is Cc1ncc(COc2ccc(CN)cc2C(F)(F)F)s1.
What is the InChIKey of [4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is NTOFLRKDBKDNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-8-18-6-10(20-8)7-19-12-3-2-9(5-17)4-11(12)13(14,15)16/h2-4,6H,5,7,17H2,1H3.
What are the key properties of [4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine?
[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 302.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 63319479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).