N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H17N3O4S — CID 51253647

IUPACN-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cnc3sccn3c2=O)c1
InChIInChI=1S/C17H17N3O4S/c1-3-23-11-5-6-14(24-4-2)13(9-11)19-15(21)12-10-18-17-20(16(12)22)7-8-25-17/h5-10H,3-4H2,1-2H3,(H,19,21)
InChIKeyDDGPJEMKGJEXRY-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.81
Rot. Bonds6

About N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51253647) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51253647
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cnc3sccn3c2=O)c1
InChIInChI=1S/C17H17N3O4S/c1-3-23-11-5-6-14(24-4-2)13(9-11)19-15(21)12-10-18-17-20(16(12)22)7-8-25-17/h5-10H,3-4H2,1-2H3,(H,19,21)
InChIKeyDDGPJEMKGJEXRY-UHFFFAOYSA-N
XLogP2.81
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
CID 46652048
N-(5-chloro-2-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4197620
N-[5-(ethylcarbamoyl)-2-methylphenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 131890652
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51275890
N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 36665080
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
CID 34728501
N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3573765
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51277900
N-(2,5-diethoxyphenyl)pyrazine-2-carboxamide
CID 862102
N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55664091
N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide
CID 33182974

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51253647) is N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2cnc3sccn3c2=O)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DDGPJEMKGJEXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-3-23-11-5-6-14(24-4-2)13(9-11)19-15(21)12-10-18-17-20(16(12)22)7-8-25-17/h5-10H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51253647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).