dimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate

C16H15NO5S — CID 1488425

IUPACdimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(-c2ccccc2)n2c1CS(=O)C2
InChIInChI=1S/C16H15NO5S/c1-21-15(18)12-11-8-23(20)9-17(11)14(13(12)16(19)22-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyLPCBAKKLFSUCRN-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.95
Rot. Bonds3

About dimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate

dimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (PubChem CID 1488425) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is dimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
PubChem CID1488425
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC Namedimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(-c2ccccc2)n2c1CS(=O)C2
InChIInChI=1S/C16H15NO5S/c1-21-15(18)12-11-8-23(20)9-17(11)14(13(12)16(19)22-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyLPCBAKKLFSUCRN-UHFFFAOYSA-N
XLogP1.95
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The IUPAC name of dimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (CID 1488425) is dimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is COC(=O)c1c(C(=O)OC)c(-c2ccccc2)n2c1CS(=O)C2.
What is the InChIKey of dimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The InChIKey is LPCBAKKLFSUCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S/c1-21-15(18)12-11-8-23(20)9-17(11)14(13(12)16(19)22-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of dimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
dimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate has a molecular weight of 333.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is sourced from PubChem (CID 1488425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).