ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate

C17H15N3O4S — CID 4134616

IUPACethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1
InChIInChI=1S/C17H15N3O4S/c1-3-24-16(23)11-4-6-12(7-5-11)19-14(21)13-8-18-17-20(15(13)22)10(2)9-25-17/h4-9H,3H2,1-2H3,(H,19,21)
InChIKeySKDVTPKUVPJQLX-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.49
Rot. Bonds4

About ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate

ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate (PubChem CID 4134616) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
PubChem CID4134616
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Nameethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1
InChIInChI=1S/C17H15N3O4S/c1-3-24-16(23)11-4-6-12(7-5-11)19-14(21)13-8-18-17-20(15(13)22)10(2)9-25-17/h4-9H,3H2,1-2H3,(H,19,21)
InChIKeySKDVTPKUVPJQLX-UHFFFAOYSA-N
XLogP2.49
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate with MolForge

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Related Compounds

N-(4-carbamoylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3586698
N-(4-chlorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5046966
N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469598
methyl 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 75412267
3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5006851
N-(5-acetamido-2-methoxyphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4581052
3-methyl-N-(2-methylprop-2-enoxy)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471182
N-(4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248607
N-[(2S)-1-methoxypropan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564193
3-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 167916723
ethyl 4-[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]benzoate
CID 53080370
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate (CID 4134616) is ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1.
What is the InChIKey of ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate?
The InChIKey is SKDVTPKUVPJQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-3-24-16(23)11-4-6-12(7-5-11)19-14(21)13-8-18-17-20(15(13)22)10(2)9-25-17/h4-9H,3H2,1-2H3,(H,19,21).
What are the key properties of ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate?
ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate has a molecular weight of 357.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate is sourced from PubChem (CID 4134616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).