N'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide

C17H24N6O5S — CID 158880687

IUPACN'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)C(N)=O)C(=O)N3CC[C@@H](O)C3)sc2C1
InChIInChI=1S/C17H24N6O5S/c1-22-4-3-10-12(8-22)29-16(21-10)15(27)20-11(6-19-14(26)13(18)25)17(28)23-5-2-9(24)7-23/h9,11,24H,2-8H2,1H3,(H2,18,25)(H,19,26)(H,20,27)/t9-,11?/m1/s1
InChIKeyJCZLOGNOHVZLKD-BFHBGLAWSA-N
MW424.48 g/mol
LogP-2.58
Rot. Bonds5

About N'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide

N'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide (PubChem CID 158880687) has the molecular formula C17H24N6O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is N'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide.

Molecular Properties

Compound NameN'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
PubChem CID158880687
Molecular FormulaC17H24N6O5S
Molecular Weight424.48 g/mol
Exact Mass424.15
IUPAC NameN'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)C(N)=O)C(=O)N3CC[C@@H](O)C3)sc2C1
InChIInChI=1S/C17H24N6O5S/c1-22-4-3-10-12(8-22)29-16(21-10)15(27)20-11(6-19-14(26)13(18)25)17(28)23-5-2-9(24)7-23/h9,11,24H,2-8H2,1H3,(H2,18,25)(H,19,26)(H,20,27)/t9-,11?/m1/s1
InChIKeyJCZLOGNOHVZLKD-BFHBGLAWSA-N
XLogP-2.58
TPSA157.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 5-2.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide 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 N'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?
The IUPAC name of N'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide (CID 158880687) is N'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide.
What is the SMILES notation for N'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?
The canonical SMILES for N'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide is CN1CCc2nc(C(=O)NC(CNC(=O)C(N)=O)C(=O)N3CC[C@@H](O)C3)sc2C1.
What is the InChIKey of N'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?
The InChIKey is JCZLOGNOHVZLKD-BFHBGLAWSA-N. The full InChI is InChI=1S/C17H24N6O5S/c1-22-4-3-10-12(8-22)29-16(21-10)15(27)20-11(6-19-14(26)13(18)25)17(28)23-5-2-9(24)7-23/h9,11,24H,2-8H2,1H3,(H2,18,25)(H,19,26)(H,20,27)/t9-,11?/m1/s1.
What are the key properties of N'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?
N'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide has a molecular weight of 424.48 g/mol, XLogP of -2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide is sourced from PubChem (CID 158880687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).