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

C25H32ClN5O4S2 — CID 11519758

IUPAC3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride
SMILESCOc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N4CCNCC4)cc3)sc2n1.Cl
InChIInChI=1S/C25H31N5O4S2.ClH/c1-34-22-11-10-21-24(28-22)35-25(27-21)29-23(31)20(16-17-4-2-3-5-17)18-6-8-19(9-7-18)36(32,33)30-14-12-26-13-15-30;/h6-11,17,20,26H,2-5,12-16H2,1H3,(H,27,29,31);1H
InChIKeyDTOMHNJLNMYQND-UHFFFAOYSA-N
MW566.15 g/mol
LogP4.02
Rot. Bonds8

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

3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride (PubChem CID 11519758) has the molecular formula C25H32ClN5O4S2 and a molecular weight of 566.15 g/mol. Its IUPAC name is 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride
PubChem CID11519758
Molecular FormulaC25H32ClN5O4S2
Molecular Weight566.15 g/mol
Exact Mass565.16
IUPAC Name3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride
SMILESCOc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N4CCNCC4)cc3)sc2n1.Cl
InChIInChI=1S/C25H31N5O4S2.ClH/c1-34-22-11-10-21-24(28-22)35-25(27-21)29-23(31)20(16-17-4-2-3-5-17)18-6-8-19(9-7-18)36(32,33)30-14-12-26-13-15-30;/h6-11,17,20,26H,2-5,12-16H2,1H3,(H,27,29,31);1H
InChIKeyDTOMHNJLNMYQND-UHFFFAOYSA-N
XLogP4.02
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.15
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride with MolForge

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

Launch Full Analysis

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-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride (CID 11519758) is 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride is COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N4CCNCC4)cc3)sc2n1.Cl.
What is the InChIKey of 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride?
The InChIKey is DTOMHNJLNMYQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4S2.ClH/c1-34-22-11-10-21-24(28-22)35-25(27-21)29-23(31)20(16-17-4-2-3-5-17)18-6-8-19(9-7-18)36(32,33)30-14-12-26-13-15-30;/h6-11,17,20,26H,2-5,12-16H2,1H3,(H,27,29,31);1H.
What are the key properties of 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride?
3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride has a molecular weight of 566.15 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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-piperazin-1-ylsulfonylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 11519758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).