1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine

C8H11N5S — CID 65275062

IUPAC1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine
SMILESCCCc1nsc(-n2ccc(N)n2)n1
InChIInChI=1S/C8H11N5S/c1-2-3-7-10-8(14-12-7)13-5-4-6(9)11-13/h4-5H,2-3H2,1H3,(H2,9,11)
InChIKeyMBTXBWDZCFLMSS-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.26
Rot. Bonds3

About 1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine

1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine (PubChem CID 65275062) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine
PubChem CID65275062
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine
SMILESCCCc1nsc(-n2ccc(N)n2)n1
InChIInChI=1S/C8H11N5S/c1-2-3-7-10-8(14-12-7)13-5-4-6(9)11-13/h4-5H,2-3H2,1H3,(H2,9,11)
InChIKeyMBTXBWDZCFLMSS-UHFFFAOYSA-N
XLogP1.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine?
The IUPAC name of 1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine (CID 65275062) is 1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine?
The canonical SMILES for 1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine is CCCc1nsc(-n2ccc(N)n2)n1.
What is the InChIKey of 1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine?
The InChIKey is MBTXBWDZCFLMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-2-3-7-10-8(14-12-7)13-5-4-6(9)11-13/h4-5H,2-3H2,1H3,(H2,9,11).
What are the key properties of 1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine?
1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine has a molecular weight of 209.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine is sourced from PubChem (CID 65275062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).