3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine

C10H15N5S2 — CID 66025282

IUPAC3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1nnc(Sc2c(N)c(C)nn2C(C)C)s1
InChIInChI=1S/C10H15N5S2/c1-5(2)15-9(8(11)6(3)14-15)17-10-13-12-7(4)16-10/h5H,11H2,1-4H3
InChIKeyGFIQDOARFZNENQ-UHFFFAOYSA-N
MW269.40 g/mol
LogP2.67
Rot. Bonds3

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

3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 66025282) has the molecular formula C10H15N5S2 and a molecular weight of 269.40 g/mol. Its IUPAC name is 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID66025282
Molecular FormulaC10H15N5S2
Molecular Weight269.40 g/mol
Exact Mass269.08
IUPAC Name3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1nnc(Sc2c(N)c(C)nn2C(C)C)s1
InChIInChI=1S/C10H15N5S2/c1-5(2)15-9(8(11)6(3)14-15)17-10-13-12-7(4)16-10/h5H,11H2,1-4H3
InChIKeyGFIQDOARFZNENQ-UHFFFAOYSA-N
XLogP2.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine (CID 66025282) is 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine is Cc1nnc(Sc2c(N)c(C)nn2C(C)C)s1.
What is the InChIKey of 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is GFIQDOARFZNENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S2/c1-5(2)15-9(8(11)6(3)14-15)17-10-13-12-7(4)16-10/h5H,11H2,1-4H3.
What are the key properties of 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine?
3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 269.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66025282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).