N-(thian-4-yl)pyridin-2-amine

C10H14N2S — CID 68572241

IUPACN-(thian-4-yl)pyridin-2-amine
SMILESc1ccc(NC2CCSCC2)nc1
InChIInChI=1S/C10H14N2S/c1-2-6-11-10(3-1)12-9-4-7-13-8-5-9/h1-3,6,9H,4-5,7-8H2,(H,11,12)
InChIKeyHBTMRCGSZNADRR-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.39
Rot. Bonds2

About N-(thian-4-yl)pyridin-2-amine

N-(thian-4-yl)pyridin-2-amine (PubChem CID 68572241) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-(thian-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(thian-4-yl)pyridin-2-amine
PubChem CID68572241
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC NameN-(thian-4-yl)pyridin-2-amine
SMILESc1ccc(NC2CCSCC2)nc1
InChIInChI=1S/C10H14N2S/c1-2-6-11-10(3-1)12-9-4-7-13-8-5-9/h1-3,6,9H,4-5,7-8H2,(H,11,12)
InChIKeyHBTMRCGSZNADRR-UHFFFAOYSA-N
XLogP2.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(thian-4-yl)pyridin-2-amine?
The IUPAC name of N-(thian-4-yl)pyridin-2-amine (CID 68572241) is N-(thian-4-yl)pyridin-2-amine.
What is the SMILES notation for N-(thian-4-yl)pyridin-2-amine?
The canonical SMILES for N-(thian-4-yl)pyridin-2-amine is c1ccc(NC2CCSCC2)nc1.
What is the InChIKey of N-(thian-4-yl)pyridin-2-amine?
The InChIKey is HBTMRCGSZNADRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-6-11-10(3-1)12-9-4-7-13-8-5-9/h1-3,6,9H,4-5,7-8H2,(H,11,12).
What are the key properties of N-(thian-4-yl)pyridin-2-amine?
N-(thian-4-yl)pyridin-2-amine has a molecular weight of 194.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-yl)pyridin-2-amine is sourced from PubChem (CID 68572241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).