1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine

C8H11N5S2 — CID 66012501

IUPAC1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Sc1nncs1
InChIInChI=1S/C8H11N5S2/c1-3-13-7(6(9)5(2)12-13)15-8-11-10-4-14-8/h4H,3,9H2,1-2H3
InChIKeyGNQMMQGTRDBASO-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.80
Rot. Bonds3

About 1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine

1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine (PubChem CID 66012501) has the molecular formula C8H11N5S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine
PubChem CID66012501
Molecular FormulaC8H11N5S2
Molecular Weight241.34 g/mol
Exact Mass241.05
IUPAC Name1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Sc1nncs1
InChIInChI=1S/C8H11N5S2/c1-3-13-7(6(9)5(2)12-13)15-8-11-10-4-14-8/h4H,3,9H2,1-2H3
InChIKeyGNQMMQGTRDBASO-UHFFFAOYSA-N
XLogP1.80
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine (CID 66012501) is 1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine is CCn1nc(C)c(N)c1Sc1nncs1.
What is the InChIKey of 1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine?
The InChIKey is GNQMMQGTRDBASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S2/c1-3-13-7(6(9)5(2)12-13)15-8-11-10-4-14-8/h4H,3,9H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine?
1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine has a molecular weight of 241.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine is sourced from PubChem (CID 66012501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).