N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

C13H17N5O4S — CID 20942786

IUPACN-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C13H17N5O4S/c1-21-5-2-14-10(19)9-8-15-12-18(11(9)20)16-13(23-12)17-3-6-22-7-4-17/h8H,2-7H2,1H3,(H,14,19)
InChIKeyNUGBIWVPDNKRMO-UHFFFAOYSA-N
MW339.38 g/mol
LogP-0.64
Rot. Bonds5

About N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942786) has the molecular formula C13H17N5O4S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942786
Molecular FormulaC13H17N5O4S
Molecular Weight339.38 g/mol
Exact Mass339.10
IUPAC NameN-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C13H17N5O4S/c1-21-5-2-14-10(19)9-8-15-12-18(11(9)20)16-13(23-12)17-3-6-22-7-4-17/h8H,2-7H2,1H3,(H,14,19)
InChIKeyNUGBIWVPDNKRMO-UHFFFAOYSA-N
XLogP-0.64
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942786) is N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is COCCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is NUGBIWVPDNKRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4S/c1-21-5-2-14-10(19)9-8-15-12-18(11(9)20)16-13(23-12)17-3-6-22-7-4-17/h8H,2-7H2,1H3,(H,14,19).
What are the key properties of N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 339.38 g/mol, XLogP of -0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).