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

C8H8F3N5S — CID 80608822

IUPACN-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Cn2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C8H8F3N5S/c1-12-7-15-14-6(17-7)4-16-3-5(2-13-16)8(9,10)11/h2-3H,4H2,1H3,(H,12,15)
InChIKeyOACGSGUPTITSFR-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.84
Rot. Bonds3

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

N-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80608822) has the molecular formula C8H8F3N5S and a molecular weight of 263.25 g/mol. Its IUPAC name is N-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80608822
Molecular FormulaC8H8F3N5S
Molecular Weight263.25 g/mol
Exact Mass263.05
IUPAC NameN-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Cn2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C8H8F3N5S/c1-12-7-15-14-6(17-7)4-16-3-5(2-13-16)8(9,10)11/h2-3H,4H2,1H3,(H,12,15)
InChIKeyOACGSGUPTITSFR-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 80608822) is N-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine is CNc1nnc(Cn2cc(C(F)(F)F)cn2)s1.
What is the InChIKey of N-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is OACGSGUPTITSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5S/c1-12-7-15-14-6(17-7)4-16-3-5(2-13-16)8(9,10)11/h2-3H,4H2,1H3,(H,12,15).
What are the key properties of N-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 263.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).