2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol

C11H16Cl2N2OS — CID 102761595

IUPAC2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol
SMILESCCCNc1nc(SC(C)CO)c(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2OS/c1-3-4-14-10-8(12)5-9(13)11(15-10)17-7(2)6-16/h5,7,16H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyFZHKSQHUFOQBHL-UHFFFAOYSA-N
MW295.24 g/mol
LogP3.68
Rot. Bonds6

About 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol

2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol (PubChem CID 102761595) has the molecular formula C11H16Cl2N2OS and a molecular weight of 295.24 g/mol. Its IUPAC name is 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol
PubChem CID102761595
Molecular FormulaC11H16Cl2N2OS
Molecular Weight295.24 g/mol
Exact Mass294.04
IUPAC Name2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol
SMILESCCCNc1nc(SC(C)CO)c(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2OS/c1-3-4-14-10-8(12)5-9(13)11(15-10)17-7(2)6-16/h5,7,16H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyFZHKSQHUFOQBHL-UHFFFAOYSA-N
XLogP3.68
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol
CID 102761554
3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine
CID 102761403
6-butan-2-ylsulfanyl-3,5-dichloro-N-ethylpyridin-2-amine
CID 102761307
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol
CID 106163265
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol
CID 102759896
methyl 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]acetate
CID 102761391
3,5-dichloro-6-(3-methylbutan-2-yloxy)-N-propylpyridin-2-amine
CID 102761074
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756844
3-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]methyl]pentan-1-ol
CID 102759121
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide
CID 102759989
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol
CID 102758878
3,5-dichloro-6-(2-methylpentoxy)-N-propylpyridin-2-amine
CID 103286396

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol?
The IUPAC name of 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol (CID 102761595) is 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol.
What is the SMILES notation for 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol?
The canonical SMILES for 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol is CCCNc1nc(SC(C)CO)c(Cl)cc1Cl.
What is the InChIKey of 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol?
The InChIKey is FZHKSQHUFOQBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2OS/c1-3-4-14-10-8(12)5-9(13)11(15-10)17-7(2)6-16/h5,7,16H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol?
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol has a molecular weight of 295.24 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol is sourced from PubChem (CID 102761595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).