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

C7H9N5S — CID 80608097

IUPAC5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnn(Cc2nnc(N)s2)c1
InChIInChI=1S/C7H9N5S/c1-5-2-9-12(3-5)4-6-10-11-7(8)13-6/h2-3H,4H2,1H3,(H2,8,11)
InChIKeyKQDQOSUPFHRONY-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.67
Rot. Bonds2

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

5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80608097) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80608097
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnn(Cc2nnc(N)s2)c1
InChIInChI=1S/C7H9N5S/c1-5-2-9-12(3-5)4-6-10-11-7(8)13-6/h2-3H,4H2,1H3,(H2,8,11)
InChIKeyKQDQOSUPFHRONY-UHFFFAOYSA-N
XLogP0.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 80608097) is 5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1cnn(Cc2nnc(N)s2)c1.
What is the InChIKey of 5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KQDQOSUPFHRONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-5-2-9-12(3-5)4-6-10-11-7(8)13-6/h2-3H,4H2,1H3,(H2,8,11).
What are the key properties of 5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 195.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).