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

C8H8F3N5S — CID 107304947

IUPACN-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCn1nccc1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H8F3N5S/c1-16-5(2-3-13-16)4-12-7-14-6(15-17-7)8(9,10)11/h2-3H,4H2,1H3,(H,12,14,15)
InChIKeyVXSMYVHQIHVKAH-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.90
Rot. Bonds3

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

N-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304947) has the molecular formula C8H8F3N5S and a molecular weight of 263.25 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304947
Molecular FormulaC8H8F3N5S
Molecular Weight263.25 g/mol
Exact Mass263.05
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCn1nccc1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H8F3N5S/c1-16-5(2-3-13-16)4-12-7-14-6(15-17-7)8(9,10)11/h2-3H,4H2,1H3,(H,12,14,15)
InChIKeyVXSMYVHQIHVKAH-UHFFFAOYSA-N
XLogP1.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304947) is N-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is Cn1nccc1CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VXSMYVHQIHVKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5S/c1-16-5(2-3-13-16)4-12-7-14-6(15-17-7)8(9,10)11/h2-3H,4H2,1H3,(H,12,14,15).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 263.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).