dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate

C17H15N3O6S — CID 3236355

IUPACdimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cnc3n(c2=O)CCS3)c1
InChIInChI=1S/C17H15N3O6S/c1-25-15(23)9-3-4-10(16(24)26-2)12(7-9)19-13(21)11-8-18-17-20(14(11)22)5-6-27-17/h3-4,7-8H,5-6H2,1-2H3,(H,19,21)
InChIKeyDUYZAVZYSWPAEO-UHFFFAOYSA-N
MW389.39 g/mol
LogP1.17
Rot. Bonds4

About dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate

dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate (PubChem CID 3236355) has the molecular formula C17H15N3O6S and a molecular weight of 389.39 g/mol. Its IUPAC name is dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate
PubChem CID3236355
Molecular FormulaC17H15N3O6S
Molecular Weight389.39 g/mol
Exact Mass389.07
IUPAC Namedimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cnc3n(c2=O)CCS3)c1
InChIInChI=1S/C17H15N3O6S/c1-25-15(23)9-3-4-10(16(24)26-2)12(7-9)19-13(21)11-8-18-17-20(14(11)22)5-6-27-17/h3-4,7-8H,5-6H2,1-2H3,(H,19,21)
InChIKeyDUYZAVZYSWPAEO-UHFFFAOYSA-N
XLogP1.17
TPSA116.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate with MolForge

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Related Compounds

methyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
CID 5180653
N-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46175391
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 39315015
methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
CID 47337619
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 83093407
5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 24515603
dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate
CID 110689637
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 166404942
dimethyl 2-[(10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carbonyl)amino]benzene-1,4-dicarboxylate
CID 4169560
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
dimethyl 2-[(2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carbonyl)amino]benzene-1,4-dicarboxylate
CID 4167675

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate (CID 3236355) is dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cnc3n(c2=O)CCS3)c1.
What is the InChIKey of dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate?
The InChIKey is DUYZAVZYSWPAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6S/c1-25-15(23)9-3-4-10(16(24)26-2)12(7-9)19-13(21)11-8-18-17-20(14(11)22)5-6-27-17/h3-4,7-8H,5-6H2,1-2H3,(H,19,21).
What are the key properties of dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate?
dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate has a molecular weight of 389.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 3236355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).