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

C10H12F3N5S — CID 75505617

IUPAC5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nn(C)c(C)c1CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H12F3N5S/c1-5-7(6(2)18(3)17-5)4-14-9-16-15-8(19-9)10(11,12)13/h4H2,1-3H3,(H,14,16)
InChIKeyZBTJJAVOHLNMKE-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.52
Rot. Bonds3

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

5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 75505617) has the molecular formula C10H12F3N5S and a molecular weight of 291.30 g/mol. Its IUPAC name is 5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID75505617
Molecular FormulaC10H12F3N5S
Molecular Weight291.30 g/mol
Exact Mass291.08
IUPAC Name5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nn(C)c(C)c1CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H12F3N5S/c1-5-7(6(2)18(3)17-5)4-14-9-16-15-8(19-9)10(11,12)13/h4H2,1-3H3,(H,14,16)
InChIKeyZBTJJAVOHLNMKE-UHFFFAOYSA-N
XLogP2.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 75505617) is 5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1nn(C)c(C)c1CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of 5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZBTJJAVOHLNMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5S/c1-5-7(6(2)18(3)17-5)4-14-9-16-15-8(19-9)10(11,12)13/h4H2,1-3H3,(H,14,16).
What are the key properties of 5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 291.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 75505617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).