N'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide

C17H24N6O4S — CID 159411293

IUPACN'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)C(N)=O)C(=O)N3CCCC3)sc2C1
InChIInChI=1S/C17H24N6O4S/c1-22-7-4-10-12(9-22)28-16(21-10)15(26)20-11(8-19-14(25)13(18)24)17(27)23-5-2-3-6-23/h11H,2-9H2,1H3,(H2,18,24)(H,19,25)(H,20,26)
InChIKeyLOPMYEDOCDRITN-UHFFFAOYSA-N
MW408.48 g/mol
LogP-1.55
Rot. Bonds5

About N'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide

N'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide (PubChem CID 159411293) has the molecular formula C17H24N6O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide.

Molecular Properties

Compound NameN'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide
PubChem CID159411293
Molecular FormulaC17H24N6O4S
Molecular Weight408.48 g/mol
Exact Mass408.16
IUPAC NameN'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)C(N)=O)C(=O)N3CCCC3)sc2C1
InChIInChI=1S/C17H24N6O4S/c1-22-7-4-10-12(9-22)28-16(21-10)15(26)20-11(8-19-14(25)13(18)24)17(27)23-5-2-3-6-23/h11H,2-9H2,1H3,(H2,18,24)(H,19,25)(H,20,26)
InChIKeyLOPMYEDOCDRITN-UHFFFAOYSA-N
XLogP-1.55
TPSA137.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide?
The IUPAC name of N'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide (CID 159411293) is N'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide.
What is the SMILES notation for N'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide?
The canonical SMILES for N'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide is CN1CCc2nc(C(=O)NC(CNC(=O)C(N)=O)C(=O)N3CCCC3)sc2C1.
What is the InChIKey of N'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide?
The InChIKey is LOPMYEDOCDRITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4S/c1-22-7-4-10-12(9-22)28-16(21-10)15(26)20-11(8-19-14(25)13(18)24)17(27)23-5-2-3-6-23/h11H,2-9H2,1H3,(H2,18,24)(H,19,25)(H,20,26).
What are the key properties of N'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide?
N'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide has a molecular weight of 408.48 g/mol, XLogP of -1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]oxamide is sourced from PubChem (CID 159411293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).