1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid

C17H24N4O4S — CID 95915935

IUPAC1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
SMILESCCC(=O)Nc1nc(N2CCC(C(=O)O)CC2)sc1C(=O)N1CCCC1
InChIInChI=1S/C17H24N4O4S/c1-2-12(22)18-14-13(15(23)20-7-3-4-8-20)26-17(19-14)21-9-5-11(6-10-21)16(24)25/h11H,2-10H2,1H3,(H,18,22)(H,24,25)
InChIKeyZCQXFGYZHCMOQV-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.03
Rot. Bonds5

About 1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid

1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid (PubChem CID 95915935) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
PubChem CID95915935
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
SMILESCCC(=O)Nc1nc(N2CCC(C(=O)O)CC2)sc1C(=O)N1CCCC1
InChIInChI=1S/C17H24N4O4S/c1-2-12(22)18-14-13(15(23)20-7-3-4-8-20)26-17(19-14)21-9-5-11(6-10-21)16(24)25/h11H,2-10H2,1H3,(H,18,22)(H,24,25)
InChIKeyZCQXFGYZHCMOQV-UHFFFAOYSA-N
XLogP2.03
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid 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 1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid (CID 95915935) is 1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid is CCC(=O)Nc1nc(N2CCC(C(=O)O)CC2)sc1C(=O)N1CCCC1.
What is the InChIKey of 1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
The InChIKey is ZCQXFGYZHCMOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-2-12(22)18-14-13(15(23)20-7-3-4-8-20)26-17(19-14)21-9-5-11(6-10-21)16(24)25/h11H,2-10H2,1H3,(H,18,22)(H,24,25).
What are the key properties of 1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid has a molecular weight of 380.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 95915935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).