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

C13H20N4O4S — CID 108529150

IUPACN-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1nc2c(s1)CN(C)CC2)OC
InChIInChI=1S/C13H20N4O4S/c1-17-5-4-8-9(7-17)22-13(15-8)16-12(19)11(18)14-6-10(20-2)21-3/h10H,4-7H2,1-3H3,(H,14,18)(H,15,16,19)
InChIKeyZKGOAEGPYGZFKF-UHFFFAOYSA-N
MW328.39 g/mol
LogP-0.20
Rot. Bonds5

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

N-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide (PubChem CID 108529150) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
PubChem CID108529150
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC NameN-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1nc2c(s1)CN(C)CC2)OC
InChIInChI=1S/C13H20N4O4S/c1-17-5-4-8-9(7-17)22-13(15-8)16-12(19)11(18)14-6-10(20-2)21-3/h10H,4-7H2,1-3H3,(H,14,18)(H,15,16,19)
InChIKeyZKGOAEGPYGZFKF-UHFFFAOYSA-N
XLogP-0.20
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110480434
N-cyclopentyl-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108506003
2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 39177210
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-3-hydroxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110480609
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
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'-(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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide (CID 108529150) is N-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide is COC(CNC(=O)C(=O)Nc1nc2c(s1)CN(C)CC2)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
The InChIKey is ZKGOAEGPYGZFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-17-5-4-8-9(7-17)22-13(15-8)16-12(19)11(18)14-6-10(20-2)21-3/h10H,4-7H2,1-3H3,(H,14,18)(H,15,16,19).
What are the key properties of N-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
N-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide has a molecular weight of 328.39 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide is sourced from PubChem (CID 108529150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).