methyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate

C14H12N2O3S — CID 12981161

IUPACmethyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate
SMILESCOC(=O)c1c2n(C)sc(-c3ccccc3)c-2[nH]c1=O
InChIInChI=1S/C14H12N2O3S/c1-16-11-9(14(18)19-2)13(17)15-10(11)12(20-16)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,17)
InChIKeyOTGZETIVZKUNAY-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.33
Rot. Bonds2

About methyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate

methyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate (PubChem CID 12981161) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is methyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate
PubChem CID12981161
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Namemethyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate
SMILESCOC(=O)c1c2n(C)sc(-c3ccccc3)c-2[nH]c1=O
InChIInChI=1S/C14H12N2O3S/c1-16-11-9(14(18)19-2)13(17)15-10(11)12(20-16)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,17)
InChIKeyOTGZETIVZKUNAY-UHFFFAOYSA-N
XLogP2.33
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-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

methyl 2,4-diphenylthiophene-3-carboxylate
CID 12733358
dimethyl 2-(4-hydroxyphenyl)-5-phenyl-1H-pyrrole-3,4-dicarboxylate
CID 101222068
methyl 4-methyl-2-phenylthiophene-3-carboxylate
CID 162514558
methyl 4-(hydroxymethyl)-2,5-diphenyl-1H-pyrrole-3-carboxylate
CID 132543458
dimethyl 5-phenyl-1,2-thiazole-3,4-dicarboxylate
CID 14546399
methyl 5-cyano-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate
CID 15149452
methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 90822779
methyl 1,3-dimethyl-5-phenylpyrazole-4-carboxylate
CID 22831861
methyl 4-chloro-1,2-dimethyl-5-phenylpyrrole-3-carboxylate
CID 91672505
methyl 2-oxo-4,6-diphenylpyran-3-carboxylate
CID 138984792
dimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate
CID 10589104
methyl 4-(2-oxo-5-phenyl-1,3-dithiol-4-yl)benzoate
CID 86696092

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate?
The IUPAC name of methyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate (CID 12981161) is methyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate?
The canonical SMILES for methyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate is COC(=O)c1c2n(C)sc(-c3ccccc3)c-2[nH]c1=O.
What is the InChIKey of methyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate?
The InChIKey is OTGZETIVZKUNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-16-11-9(14(18)19-2)13(17)15-10(11)12(20-16)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,17).
What are the key properties of methyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate?
methyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate has a molecular weight of 288.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-oxo-3-phenyl-4H-pyrrolo[3,2-c][1,2]thiazole-6-carboxylate is sourced from PubChem (CID 12981161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).