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

C8H8F3N5S — CID 104599692

IUPACN-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCn1ccc(CNc2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C8H8F3N5S/c1-16-3-2-5(15-16)4-12-7-14-13-6(17-7)8(9,10)11/h2-3H,4H2,1H3,(H,12,14)
InChIKeyYZPXYWMBEADAFI-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.90
Rot. Bonds3

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

N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 104599692) has the molecular formula C8H8F3N5S and a molecular weight of 263.25 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID104599692
Molecular FormulaC8H8F3N5S
Molecular Weight263.25 g/mol
Exact Mass263.05
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCn1ccc(CNc2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C8H8F3N5S/c1-16-3-2-5(15-16)4-12-7-14-13-6(17-7)8(9,10)11/h2-3H,4H2,1H3,(H,12,14)
InChIKeyYZPXYWMBEADAFI-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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 104599692) is N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Cn1ccc(CNc2nnc(C(F)(F)F)s2)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YZPXYWMBEADAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5S/c1-16-3-2-5(15-16)4-12-7-14-13-6(17-7)8(9,10)11/h2-3H,4H2,1H3,(H,12,14).
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-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-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104599692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).