1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine

C11H9F3N2OS — CID 91470452

IUPAC1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)(F)F)cc1)c1cscn1
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)17-8-3-1-7(2-4-8)10(15)9-5-18-6-16-9/h1-6,10H,15H2
InChIKeyQQTLNBDFBCEOMX-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.09
Rot. Bonds3

About 1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine

1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 91470452) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID91470452
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)(F)F)cc1)c1cscn1
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)17-8-3-1-7(2-4-8)10(15)9-5-18-6-16-9/h1-6,10H,15H2
InChIKeyQQTLNBDFBCEOMX-UHFFFAOYSA-N
XLogP3.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 61330086
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
5-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,3-diol;hydrochloride
CID 171239519
(R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245706
(S)-(6-bromo-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240762
(R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171247522

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of 1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine (CID 91470452) is 1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for 1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for 1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine is NC(c1ccc(OC(F)(F)F)cc1)c1cscn1.
What is the InChIKey of 1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is QQTLNBDFBCEOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c12-11(13,14)17-8-3-1-7(2-4-8)10(15)9-5-18-6-16-9/h1-6,10H,15H2.
What are the key properties of 1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine?
1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 274.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 91470452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).