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

C7H6F3N5S — CID 114449730

IUPACN-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCn1ccc(Nc2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C7H6F3N5S/c1-15-3-2-4(14-15)11-6-13-12-5(16-6)7(8,9)10/h2-3H,1H3,(H,11,13,14)
InChIKeyNMQJTFNIVPHZOF-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.03
Rot. Bonds2

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

N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114449730) has the molecular formula C7H6F3N5S and a molecular weight of 249.22 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114449730
Molecular FormulaC7H6F3N5S
Molecular Weight249.22 g/mol
Exact Mass249.03
IUPAC NameN-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCn1ccc(Nc2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C7H6F3N5S/c1-15-3-2-4(14-15)11-6-13-12-5(16-6)7(8,9)10/h2-3H,1H3,(H,11,13,14)
InChIKeyNMQJTFNIVPHZOF-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-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114449730) is N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Cn1ccc(Nc2nnc(C(F)(F)F)s2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NMQJTFNIVPHZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5S/c1-15-3-2-4(14-15)11-6-13-12-5(16-6)7(8,9)10/h2-3H,1H3,(H,11,13,14).
What are the key properties of N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-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-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114449730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).