N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

C13H16N4O3S — CID 90524974

IUPACN-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CN(C(=O)C1CCC(=O)N1)CC2
InChIInChI=1S/C13H16N4O3S/c1-7(18)14-13-16-8-4-5-17(6-10(8)21-13)12(20)9-2-3-11(19)15-9/h9H,2-6H2,1H3,(H,15,19)(H,14,16,18)
InChIKeyAFYBEATUETTWRJ-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.26
Rot. Bonds2

About N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (PubChem CID 90524974) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
PubChem CID90524974
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CN(C(=O)C1CCC(=O)N1)CC2
InChIInChI=1S/C13H16N4O3S/c1-7(18)14-13-16-8-4-5-17(6-10(8)21-13)12(20)9-2-3-11(19)15-9/h9H,2-6H2,1H3,(H,15,19)(H,14,16,18)
InChIKeyAFYBEATUETTWRJ-UHFFFAOYSA-N
XLogP0.26
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527771
N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525152
N-[5-(2-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525044
2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90480656
N-[5-(3,5-dimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525060
N-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531084
N-[5-(thiophene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525186
N-[(6R)-6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 132510072
1-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-cyclopentylurea
CID 90529287
N-[5-(3-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525045
N-[5-(2-phenoxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525102
methyl 2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
CID 11637431

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (CID 90524974) is N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is CC(=O)Nc1nc2c(s1)CN(C(=O)C1CCC(=O)N1)CC2.
What is the InChIKey of N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The InChIKey is AFYBEATUETTWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-7(18)14-13-16-8-4-5-17(6-10(8)21-13)12(20)9-2-3-11(19)15-9/h9H,2-6H2,1H3,(H,15,19)(H,14,16,18).
What are the key properties of N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide has a molecular weight of 308.36 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 90524974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).