3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide

C26H32N4O4S2 — CID 11577339

IUPAC3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2n1
InChIInChI=1S/C26H32N4O4S2/c1-34-23-14-13-22-25(28-23)35-26(27-22)29-24(31)21(17-18-7-3-4-8-18)19-9-11-20(12-10-19)36(32,33)30-15-5-2-6-16-30/h9-14,18,21H,2-8,15-17H2,1H3,(H,27,29,31)
InChIKeyXWLNYSJXDZSNAN-UHFFFAOYSA-N
MW528.70 g/mol
LogP5.18
Rot. Bonds8

About 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide

3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 11577339) has the molecular formula C26H32N4O4S2 and a molecular weight of 528.70 g/mol. Its IUPAC name is 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID11577339
Molecular FormulaC26H32N4O4S2
Molecular Weight528.70 g/mol
Exact Mass528.19
IUPAC Name3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2n1
InChIInChI=1S/C26H32N4O4S2/c1-34-23-14-13-22-25(28-23)35-26(27-22)29-24(31)21(17-18-7-3-4-8-18)19-9-11-20(12-10-19)36(32,33)30-15-5-2-6-16-30/h9-14,18,21H,2-8,15-17H2,1H3,(H,27,29,31)
InChIKeyXWLNYSJXDZSNAN-UHFFFAOYSA-N
XLogP5.18
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 11577339) is 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2n1.
What is the InChIKey of 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is XWLNYSJXDZSNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S2/c1-34-23-14-13-22-25(28-23)35-26(27-22)29-24(31)21(17-18-7-3-4-8-18)19-9-11-20(12-10-19)36(32,33)30-15-5-2-6-16-30/h9-14,18,21H,2-8,15-17H2,1H3,(H,27,29,31).
What are the key properties of 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide?
3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 528.70 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 11577339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).