2-(thian-3-yl)pyrazol-3-amine

C8H13N3S — CID 62872187

IUPAC2-(thian-3-yl)pyrazol-3-amine
SMILESNc1ccnn1C1CCCSC1
InChIInChI=1S/C8H13N3S/c9-8-3-4-10-11(8)7-2-1-5-12-6-7/h3-4,7H,1-2,5-6,9H2
InChIKeyAGWITMSARXZHIO-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.53
Rot. Bonds1

About 2-(thian-3-yl)pyrazol-3-amine

2-(thian-3-yl)pyrazol-3-amine (PubChem CID 62872187) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(thian-3-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(thian-3-yl)pyrazol-3-amine
PubChem CID62872187
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-(thian-3-yl)pyrazol-3-amine
SMILESNc1ccnn1C1CCCSC1
InChIInChI=1S/C8H13N3S/c9-8-3-4-10-11(8)7-2-1-5-12-6-7/h3-4,7H,1-2,5-6,9H2
InChIKeyAGWITMSARXZHIO-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 2-(thian-3-yl)pyrazol-3-amine?
The IUPAC name of 2-(thian-3-yl)pyrazol-3-amine (CID 62872187) is 2-(thian-3-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(thian-3-yl)pyrazol-3-amine?
The canonical SMILES for 2-(thian-3-yl)pyrazol-3-amine is Nc1ccnn1C1CCCSC1.
What is the InChIKey of 2-(thian-3-yl)pyrazol-3-amine?
The InChIKey is AGWITMSARXZHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-8-3-4-10-11(8)7-2-1-5-12-6-7/h3-4,7H,1-2,5-6,9H2.
What are the key properties of 2-(thian-3-yl)pyrazol-3-amine?
2-(thian-3-yl)pyrazol-3-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 2-(thian-3-yl)pyrazol-3-amine is sourced from PubChem (CID 62872187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).