1-(thian-4-yl)pyrazol-4-amine

C8H13N3S — CID 84732558

IUPAC1-(thian-4-yl)pyrazol-4-amine
SMILESNc1cnn(C2CCSCC2)c1
InChIInChI=1S/C8H13N3S/c9-7-5-10-11(6-7)8-1-3-12-4-2-8/h5-6,8H,1-4,9H2
InChIKeyLYQMAOPMISDMPN-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.53
Rot. Bonds1

About 1-(thian-4-yl)pyrazol-4-amine

1-(thian-4-yl)pyrazol-4-amine (PubChem CID 84732558) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(thian-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(thian-4-yl)pyrazol-4-amine
PubChem CID84732558
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name1-(thian-4-yl)pyrazol-4-amine
SMILESNc1cnn(C2CCSCC2)c1
InChIInChI=1S/C8H13N3S/c9-7-5-10-11(6-7)8-1-3-12-4-2-8/h5-6,8H,1-4,9H2
InChIKeyLYQMAOPMISDMPN-UHFFFAOYSA-N
XLogP1.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(thian-4-yl)pyrazol-4-amine?
The IUPAC name of 1-(thian-4-yl)pyrazol-4-amine (CID 84732558) is 1-(thian-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(thian-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-(thian-4-yl)pyrazol-4-amine is Nc1cnn(C2CCSCC2)c1.
What is the InChIKey of 1-(thian-4-yl)pyrazol-4-amine?
The InChIKey is LYQMAOPMISDMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-7-5-10-11(6-7)8-1-3-12-4-2-8/h5-6,8H,1-4,9H2.
What are the key properties of 1-(thian-4-yl)pyrazol-4-amine?
1-(thian-4-yl)pyrazol-4-amine has a molecular weight of 183.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-4-yl)pyrazol-4-amine is sourced from PubChem (CID 84732558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).