3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione

C8H13N3S — CID 66720706

IUPAC3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione
SMILESCC(C)Nc1ccc(N)c(=S)[nH]1
InChIInChI=1S/C8H13N3S/c1-5(2)10-7-4-3-6(9)8(12)11-7/h3-5H,9H2,1-2H3,(H2,10,11,12)
InChIKeyIGHCQZQJOSZHCX-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.15
Rot. Bonds2

About 3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione

3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione (PubChem CID 66720706) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione
PubChem CID66720706
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione
SMILESCC(C)Nc1ccc(N)c(=S)[nH]1
InChIInChI=1S/C8H13N3S/c1-5(2)10-7-4-3-6(9)8(12)11-7/h3-5H,9H2,1-2H3,(H2,10,11,12)
InChIKeyIGHCQZQJOSZHCX-UHFFFAOYSA-N
XLogP2.15
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione?
The IUPAC name of 3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione (CID 66720706) is 3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione.
What is the SMILES notation for 3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione?
The canonical SMILES for 3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione is CC(C)Nc1ccc(N)c(=S)[nH]1.
What is the InChIKey of 3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione?
The InChIKey is IGHCQZQJOSZHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5(2)10-7-4-3-6(9)8(12)11-7/h3-5H,9H2,1-2H3,(H2,10,11,12).
What are the key properties of 3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione?
3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione has a molecular weight of 183.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(propan-2-ylamino)-1H-pyridine-2-thione is sourced from PubChem (CID 66720706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).