N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C7H6F3N5S — CID 107304720

IUPACN-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCn1cc(Nc2nc(C(F)(F)F)ns2)cn1
InChIInChI=1S/C7H6F3N5S/c1-15-3-4(2-11-15)12-6-13-5(14-16-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)
InChIKeyKMWFNOAQGCVGHS-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.03
Rot. Bonds2

About N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304720) has the molecular formula C7H6F3N5S and a molecular weight of 249.22 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304720
Molecular FormulaC7H6F3N5S
Molecular Weight249.22 g/mol
Exact Mass249.03
IUPAC NameN-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCn1cc(Nc2nc(C(F)(F)F)ns2)cn1
InChIInChI=1S/C7H6F3N5S/c1-15-3-4(2-11-15)12-6-13-5(14-16-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)
InChIKeyKMWFNOAQGCVGHS-UHFFFAOYSA-N
XLogP2.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304720) is N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is Cn1cc(Nc2nc(C(F)(F)F)ns2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KMWFNOAQGCVGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5S/c1-15-3-4(2-11-15)12-6-13-5(14-16-6)7(8,9)10/h2-3H,1H3,(H,12,13,14).
What are the key properties of N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 249.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).