3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid

C19H23N3O5S2 — CID 10320880

IUPAC3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cn1
InChIInChI=1S/C19H23N3O5S2/c23-17(24)7-10-29(26,27)16-6-5-14(12-21-16)15(11-13-3-1-2-4-13)18(25)22-19-20-8-9-28-19/h5-6,8-9,12-13,15H,1-4,7,10-11H2,(H,23,24)(H,20,22,25)
InChIKeyVHHZWXSOIXADGV-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.09
Rot. Bonds9

About 3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid

3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid (PubChem CID 10320880) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid.

Molecular Properties

Compound Name3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid
PubChem CID10320880
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Name3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cn1
InChIInChI=1S/C19H23N3O5S2/c23-17(24)7-10-29(26,27)16-6-5-14(12-21-16)15(11-13-3-1-2-4-13)18(25)22-19-20-8-9-28-19/h5-6,8-9,12-13,15H,1-4,7,10-11H2,(H,23,24)(H,20,22,25)
InChIKeyVHHZWXSOIXADGV-UHFFFAOYSA-N
XLogP3.09
TPSA126.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid 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

3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 22315127
3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide
CID 22467925
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 141167514
3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
CID 157066316
3-cyclopentyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 22315147
methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
CID 20707097
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
CID 162198368
3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 22467915
3-cyclopentyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 142933315
2-(3-cyano-4-methylsulfonylphenyl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 142018504

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid?
The IUPAC name of 3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid (CID 10320880) is 3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid.
What is the SMILES notation for 3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid?
The canonical SMILES for 3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid is O=C(O)CCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cn1.
What is the InChIKey of 3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid?
The InChIKey is VHHZWXSOIXADGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c23-17(24)7-10-29(26,27)16-6-5-14(12-21-16)15(11-13-3-1-2-4-13)18(25)22-19-20-8-9-28-19/h5-6,8-9,12-13,15H,1-4,7,10-11H2,(H,23,24)(H,20,22,25).
What are the key properties of 3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid?
3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid has a molecular weight of 437.54 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-pyridinyl]sulfonyl]propanoic acid is sourced from PubChem (CID 10320880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).