1-(thian-4-yl)pyrazol-3-amine

C8H13N3S — CID 84659250

IUPAC1-(thian-4-yl)pyrazol-3-amine
SMILESNc1ccn(C2CCSCC2)n1
InChIInChI=1S/C8H13N3S/c9-8-1-4-11(10-8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6H2,(H2,9,10)
InChIKeyLHGYKPZLUPKCKU-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.53
Rot. Bonds1

About 1-(thian-4-yl)pyrazol-3-amine

1-(thian-4-yl)pyrazol-3-amine (PubChem CID 84659250) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(thian-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(thian-4-yl)pyrazol-3-amine
PubChem CID84659250
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name1-(thian-4-yl)pyrazol-3-amine
SMILESNc1ccn(C2CCSCC2)n1
InChIInChI=1S/C8H13N3S/c9-8-1-4-11(10-8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6H2,(H2,9,10)
InChIKeyLHGYKPZLUPKCKU-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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Related Compounds

1-(propan-2-yl)-1H-pyrazol-3-amine
CID 19576797
1-cyclohexyl-1H-pyrazol-3-amine
CID 12486716
1-(3-methoxypropyl)-N-(thian-4-yl)pyrazol-3-amine
CID 75380852
1-(2-methanesulfonylethyl)-1H-pyrazol-3-amine
CID 53536967
1-(2,2-difluoroethyl)-N-(thiolan-3-yl)pyrazol-3-amine
CID 75483531
1-(2,2-difluoroethyl)-N-(thian-3-yl)pyrazol-3-amine
CID 86787641
1-(2,2-difluoroethyl)-N-[(3R)-thiolan-3-yl]pyrazol-3-amine
CID 97338491
1-(2,2-difluoroethyl)-N-[(3S)-thiolan-3-yl]pyrazol-3-amine
CID 97338492
1-(2,2-difluoroethyl)-N-[(3R)-thian-3-yl]pyrazol-3-amine
CID 97877692
1-(2,2-difluoroethyl)-N-[(3S)-thian-3-yl]pyrazol-3-amine
CID 97877693
1-[1-[2-(Trifluoromethylsulfanyl)ethyl]piperidin-4-yl]pyrazol-3-amine
CID 107109612
1-(2,2-difluoroethyl)-N-(thian-4-yl)pyrazol-3-amine
CID 115735749

Frequently Asked Questions

What is the IUPAC name of 1-(thian-4-yl)pyrazol-3-amine?
The IUPAC name of 1-(thian-4-yl)pyrazol-3-amine (CID 84659250) is 1-(thian-4-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(thian-4-yl)pyrazol-3-amine?
The canonical SMILES for 1-(thian-4-yl)pyrazol-3-amine is Nc1ccn(C2CCSCC2)n1.
What is the InChIKey of 1-(thian-4-yl)pyrazol-3-amine?
The InChIKey is LHGYKPZLUPKCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-8-1-4-11(10-8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6H2,(H2,9,10).
What are the key properties of 1-(thian-4-yl)pyrazol-3-amine?
1-(thian-4-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 1-(thian-4-yl)pyrazol-3-amine is sourced from PubChem (CID 84659250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).