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

C17H17N5O4S — CID 20942807

IUPACN-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C17H17N5O4S/c1-25-13-5-3-2-4-12(13)19-14(23)11-10-18-16-22(15(11)24)20-17(27-16)21-6-8-26-9-7-21/h2-5,10H,6-9H2,1H3,(H,19,23)
InChIKeyQVHJWWXYNJHKKE-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.25
Rot. Bonds4

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

N-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942807) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942807
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC NameN-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C17H17N5O4S/c1-25-13-5-3-2-4-12(13)19-14(23)11-10-18-16-22(15(11)24)20-17(27-16)21-6-8-26-9-7-21/h2-5,10H,6-9H2,1H3,(H,19,23)
InChIKeyQVHJWWXYNJHKKE-UHFFFAOYSA-N
XLogP1.25
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20886557
N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942768
N-(2-methoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573867
N-[(2-methoxyphenyl)methyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053848
2-(azepan-1-yl)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942887
N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942796
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365446
N-[(3-methoxyphenyl)methyl]-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942673
2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42100005
N-(2-methoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 16585086
N-(2-methoxyphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103826
N-(2-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66504208

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942807) is N-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is QVHJWWXYNJHKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-25-13-5-3-2-4-12(13)19-14(23)11-10-18-16-22(15(11)24)20-17(27-16)21-6-8-26-9-7-21/h2-5,10H,6-9H2,1H3,(H,19,23).
What are the key properties of N-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).