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

C12H18Cl2N2OS — CID 102761554

IUPAC3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol
SMILESCCCNc1nc(SC(C)CCO)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2OS/c1-3-5-15-11-9(13)7-10(14)12(16-11)18-8(2)4-6-17/h7-8,17H,3-6H2,1-2H3,(H,15,16)
InChIKeyYHZZDOXPKAETHW-UHFFFAOYSA-N
MW309.26 g/mol
LogP4.07
Rot. Bonds7

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

3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol (PubChem CID 102761554) has the molecular formula C12H18Cl2N2OS and a molecular weight of 309.26 g/mol. Its IUPAC name is 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol
PubChem CID102761554
Molecular FormulaC12H18Cl2N2OS
Molecular Weight309.26 g/mol
Exact Mass308.05
IUPAC Name3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol
SMILESCCCNc1nc(SC(C)CCO)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2OS/c1-3-5-15-11-9(13)7-10(14)12(16-11)18-8(2)4-6-17/h7-8,17H,3-6H2,1-2H3,(H,15,16)
InChIKeyYHZZDOXPKAETHW-UHFFFAOYSA-N
XLogP4.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-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

2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol
CID 102761595
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
3-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]methyl]pentan-1-ol
CID 102759121
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol
CID 106163265
methyl 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]acetate
CID 102761391
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-4-methoxybutan-1-ol
CID 106163074
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol
CID 102759896
3,5-dichloro-6-(3-methylbutan-2-yloxy)-N-propylpyridin-2-amine
CID 102761074
3,5-dichloro-6-(2-methylpentoxy)-N-propylpyridin-2-amine
CID 103286396
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756844
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide
CID 102759989

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol?
The IUPAC name of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol (CID 102761554) is 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol.
What is the SMILES notation for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol?
The canonical SMILES for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol is CCCNc1nc(SC(C)CCO)c(Cl)cc1Cl.
What is the InChIKey of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol?
The InChIKey is YHZZDOXPKAETHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2OS/c1-3-5-15-11-9(13)7-10(14)12(16-11)18-8(2)4-6-17/h7-8,17H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol?
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol has a molecular weight of 309.26 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol is sourced from PubChem (CID 102761554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).