N-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide

C13H18N4O4S2 — CID 108526822

IUPACN-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
SMILESCN1CCc2nc(NC(=O)C(=O)NC3CCS(=O)(=O)C3)sc2C1
InChIInChI=1S/C13H18N4O4S2/c1-17-4-2-9-10(6-17)22-13(15-9)16-12(19)11(18)14-8-3-5-23(20,21)7-8/h8H,2-7H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyLQOJPMQFPQNIJN-UHFFFAOYSA-N
MW358.45 g/mol
LogP-0.63
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide

N-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide (PubChem CID 108526822) has the molecular formula C13H18N4O4S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
PubChem CID108526822
Molecular FormulaC13H18N4O4S2
Molecular Weight358.45 g/mol
Exact Mass358.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
SMILESCN1CCc2nc(NC(=O)C(=O)NC3CCS(=O)(=O)C3)sc2C1
InChIInChI=1S/C13H18N4O4S2/c1-17-4-2-9-10(6-17)22-13(15-9)16-12(19)11(18)14-8-3-5-23(20,21)7-8/h8H,2-7H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyLQOJPMQFPQNIJN-UHFFFAOYSA-N
XLogP-0.63
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108506003
N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108527258
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 108517269
N-(4-iodophenyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108529188
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-oxo-2-thiomorpholin-4-ylacetamide
CID 100741040
2-amino-2-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110460913
N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-N-pyridin-2-yloxamide
CID 108525921
N-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108529150
N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108523995
N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108526707
1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 47433636
N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108520447

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide (CID 108526822) is N-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide is CN1CCc2nc(NC(=O)C(=O)NC3CCS(=O)(=O)C3)sc2C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
The InChIKey is LQOJPMQFPQNIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S2/c1-17-4-2-9-10(6-17)22-13(15-9)16-12(19)11(18)14-8-3-5-23(20,21)7-8/h8H,2-7H2,1H3,(H,14,18)(H,15,16,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
N-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide has a molecular weight of 358.45 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide is sourced from PubChem (CID 108526822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).