[1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol

C13H16N2OS — CID 62519052

IUPAC[1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol
SMILESOCC1(Nc2nccc3sccc23)CCCC1
InChIInChI=1S/C13H16N2OS/c16-9-13(5-1-2-6-13)15-12-10-4-8-17-11(10)3-7-14-12/h3-4,7-8,16H,1-2,5-6,9H2,(H,14,15)
InChIKeyXYAFAPBLUJULBN-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.01
Rot. Bonds3

About [1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol

[1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol (PubChem CID 62519052) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol
PubChem CID62519052
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol
SMILESOCC1(Nc2nccc3sccc23)CCCC1
InChIInChI=1S/C13H16N2OS/c16-9-13(5-1-2-6-13)15-12-10-4-8-17-11(10)3-7-14-12/h3-4,7-8,16H,1-2,5-6,9H2,(H,14,15)
InChIKeyXYAFAPBLUJULBN-UHFFFAOYSA-N
XLogP3.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol?
The IUPAC name of [1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol (CID 62519052) is [1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol?
The canonical SMILES for [1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol is OCC1(Nc2nccc3sccc23)CCCC1.
What is the InChIKey of [1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol?
The InChIKey is XYAFAPBLUJULBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-9-13(5-1-2-6-13)15-12-10-4-8-17-11(10)3-7-14-12/h3-4,7-8,16H,1-2,5-6,9H2,(H,14,15).
What are the key properties of [1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol?
[1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol has a molecular weight of 248.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 62519052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).