(4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine

C13H14F3N3S — CID 105141412

IUPAC(4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCC(C)c1nnsc1C(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3S/c1-7(2)11-12(20-19-18-11)10(17)8-4-3-5-9(6-8)13(14,15)16/h3-7,10H,17H2,1-2H3
InChIKeyWDFGSLOCVKKSQR-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.73
Rot. Bonds3

About (4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine

(4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 105141412) has the molecular formula C13H14F3N3S and a molecular weight of 301.34 g/mol. Its IUPAC name is (4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID105141412
Molecular FormulaC13H14F3N3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name(4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCC(C)c1nnsc1C(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3S/c1-7(2)11-12(20-19-18-11)10(17)8-4-3-5-9(6-8)13(14,15)16/h3-7,10H,17H2,1-2H3
InChIKeyWDFGSLOCVKKSQR-UHFFFAOYSA-N
XLogP3.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 105145823
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 81157473
(4-tert-butylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 105092738
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107503114
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 103405830
(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105168313
(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785683
(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65105009
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine (CID 105141412) is (4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine is CC(C)c1nnsc1C(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WDFGSLOCVKKSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3S/c1-7(2)11-12(20-19-18-11)10(17)8-4-3-5-9(6-8)13(14,15)16/h3-7,10H,17H2,1-2H3.
What are the key properties of (4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine?
(4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 301.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 105141412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).