(4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C12H13F3N4S — CID 102709870

IUPAC(4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCCc1nnsc1C(N)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H13F3N4S/c1-2-3-9-11(20-19-18-9)10(16)7-6-17-5-4-8(7)12(13,14)15/h4-6,10H,2-3,16H2,1H3
InChIKeyMYPBQPLXSDGGMC-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.95
Rot. Bonds4

About (4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

(4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102709870) has the molecular formula C12H13F3N4S and a molecular weight of 302.33 g/mol. Its IUPAC name is (4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102709870
Molecular FormulaC12H13F3N4S
Molecular Weight302.33 g/mol
Exact Mass302.08
IUPAC Name(4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCCc1nnsc1C(N)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H13F3N4S/c1-2-3-9-11(20-19-18-9)10(16)7-6-17-5-4-8(7)12(13,14)15/h4-6,10H,2-3,16H2,1H3
InChIKeyMYPBQPLXSDGGMC-UHFFFAOYSA-N
XLogP2.95
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-ethylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710567
(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145381
(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106848731
(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708459
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710195
(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105102650
N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105181884
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
(5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708183
2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
CID 102708312
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062

Frequently Asked Questions

What is the IUPAC name of (4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102709870) is (4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is CCCc1nnsc1C(N)c1cnccc1C(F)(F)F.
What is the InChIKey of (4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is MYPBQPLXSDGGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4S/c1-2-3-9-11(20-19-18-9)10(16)7-6-17-5-4-8(7)12(13,14)15/h4-6,10H,2-3,16H2,1H3.
What are the key properties of (4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 302.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102709870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).