methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate

C16H14N2O5S — CID 54109387

IUPACmethyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(=O)nc2scc(-c3ccc(OC)c(OC)c3)n12
InChIInChI=1S/C16H14N2O5S/c1-21-12-5-4-9(6-13(12)22-2)11-8-24-16-17-14(19)7-10(18(11)16)15(20)23-3/h4-8H,1-3H3
InChIKeyNFZRHCGROBVWDX-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.23
Rot. Bonds4

About methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate

methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (PubChem CID 54109387) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
PubChem CID54109387
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Namemethyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(=O)nc2scc(-c3ccc(OC)c(OC)c3)n12
InChIInChI=1S/C16H14N2O5S/c1-21-12-5-4-9(6-13(12)22-2)11-8-24-16-17-14(19)7-10(18(11)16)15(20)23-3/h4-8H,1-3H3
InChIKeyNFZRHCGROBVWDX-UHFFFAOYSA-N
XLogP2.23
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate 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

3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide
CID 21177480
3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82061970
7-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50802704
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 874645
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
CID 16933587
3-(4-methoxy-3-methylphenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198880
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 17013841
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylacetic acid
CID 21408386

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (CID 54109387) is methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is COC(=O)c1cc(=O)nc2scc(-c3ccc(OC)c(OC)c3)n12.
What is the InChIKey of methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The InChIKey is NFZRHCGROBVWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c1-21-12-5-4-9(6-13(12)22-2)11-8-24-16-17-14(19)7-10(18(11)16)15(20)23-3/h4-8H,1-3H3.
What are the key properties of methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate has a molecular weight of 346.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 54109387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).