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

C21H24N4O4S2 — CID 11532712

IUPAC3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(N)(=O)=O)cc3)sc2n1
InChIInChI=1S/C21H24N4O4S2/c1-29-18-11-10-17-20(24-18)30-21(23-17)25-19(26)16(12-13-4-2-3-5-13)14-6-8-15(9-7-14)31(22,27)28/h6-11,13,16H,2-5,12H2,1H3,(H2,22,27,28)(H,23,25,26)
InChIKeyMBGKLTPGMKMMBY-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.65
Rot. Bonds7

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

3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-sulfamoylphenyl)propanamide (PubChem CID 11532712) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-sulfamoylphenyl)propanamide
PubChem CID11532712
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC Name3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(N)(=O)=O)cc3)sc2n1
InChIInChI=1S/C21H24N4O4S2/c1-29-18-11-10-17-20(24-18)30-21(23-17)25-19(26)16(12-13-4-2-3-5-13)14-6-8-15(9-7-14)31(22,27)28/h6-11,13,16H,2-5,12H2,1H3,(H2,22,27,28)(H,23,25,26)
InChIKeyMBGKLTPGMKMMBY-UHFFFAOYSA-N
XLogP3.65
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.65
H-Bond Donors ≤ 52
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-sulfamoylphenyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-sulfamoylphenyl)propanamide (CID 11532712) is 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-sulfamoylphenyl)propanamide is COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(N)(=O)=O)cc3)sc2n1.
What is the InChIKey of 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-sulfamoylphenyl)propanamide?
The InChIKey is MBGKLTPGMKMMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-29-18-11-10-17-20(24-18)30-21(23-17)25-19(26)16(12-13-4-2-3-5-13)14-6-8-15(9-7-14)31(22,27)28/h6-11,13,16H,2-5,12H2,1H3,(H2,22,27,28)(H,23,25,26).
What are the key properties of 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-sulfamoylphenyl)propanamide?
3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(4-sulfamoylphenyl)propanamide has a molecular weight of 460.58 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 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-sulfamoylphenyl)propanamide is sourced from PubChem (CID 11532712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).