N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

C18H19N5O4S — CID 53053848

IUPACN-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(=O)nc2sc(N3CCOCC3)nn12
InChIInChI=1S/C18H19N5O4S/c1-26-14-5-3-2-4-12(14)11-19-16(25)13-10-15(24)20-17-23(13)21-18(28-17)22-6-8-27-9-7-22/h2-5,10H,6-9,11H2,1H3,(H,19,25)
InChIKeyXWPKBAHHINARSE-UHFFFAOYSA-N
MW401.45 g/mol
LogP0.93
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 53053848) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID53053848
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(=O)nc2sc(N3CCOCC3)nn12
InChIInChI=1S/C18H19N5O4S/c1-26-14-5-3-2-4-12(14)11-19-16(25)13-10-15(24)20-17-23(13)21-18(28-17)22-6-8-27-9-7-22/h2-5,10H,6-9,11H2,1H3,(H,19,25)
InChIKeyXWPKBAHHINARSE-UHFFFAOYSA-N
XLogP0.93
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53054023
N-[(2,5-dimethoxyphenyl)methyl]-7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53054031
N-[(2-ethoxyphenyl)methyl]-7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053758
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053821
N-[(2-ethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053968
2-(azepan-1-yl)-N-[(3-methoxyphenyl)methyl]-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053896
N-[(2-methoxyphenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365354
N-[(4-chlorophenyl)methyl]-7-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053993
N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide
CID 9404711
N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387463
N-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942807
N-[(2-methoxyphenyl)methyl]-4-[[(2-morpholin-4-yl-3,4-dioxocyclobuten-1-yl)amino]methyl]benzamide
CID 20888659

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide (CID 53053848) is N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide is COc1ccccc1CNC(=O)c1cc(=O)nc2sc(N3CCOCC3)nn12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is XWPKBAHHINARSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-26-14-5-3-2-4-12(14)11-19-16(25)13-10-15(24)20-17-23(13)21-18(28-17)22-6-8-27-9-7-22/h2-5,10H,6-9,11H2,1H3,(H,19,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53053848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).