dimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate

C16H14FNO4S — CID 1488423

IUPACdimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(-c2ccc(F)cc2)n2c1CSC2
InChIInChI=1S/C16H14FNO4S/c1-21-15(19)12-11-7-23-8-18(11)14(13(12)16(20)22-2)9-3-5-10(17)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeySJKDGTMOKHTUOV-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.07
Rot. Bonds3

About dimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate

dimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (PubChem CID 1488423) has the molecular formula C16H14FNO4S and a molecular weight of 335.36 g/mol. Its IUPAC name is dimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
PubChem CID1488423
Molecular FormulaC16H14FNO4S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC Namedimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(-c2ccc(F)cc2)n2c1CSC2
InChIInChI=1S/C16H14FNO4S/c1-21-15(19)12-11-7-23-8-18(11)14(13(12)16(20)22-2)9-3-5-10(17)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeySJKDGTMOKHTUOV-UHFFFAOYSA-N
XLogP3.07
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dimethyl 5-methyl-1H-pyrrolo(1,2-C)(1,3)thiazole-6,7-dicarboxylate
CID 2821331
5-(4-methylphenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid
CID 1472063
Dimethyl 5-(4-fluorophenyl)-2-oxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1488429
5-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylic acid
CID 1473419
dimethyl 5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
CID 337612
Dimethyl 5-(4-methylphenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1472036
dimethyl 5-(3-fluorophenyl)-2-oxo-2,3-dihydro-1H-2lambda~4~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1472043
Dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1488426
dimethyl 5-phenyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
CID 1473406
5-(4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylic acid
CID 1473412
dimethyl 5-(3-chlorophenyl)-2-oxo-2,3-dihydro-1H-2lambda~4~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1472037
dimethyl 5-(3-fluorophenyl)-2,2-dioxo-2,3-dihydro-1H-2lambda~6~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1472044

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The IUPAC name of dimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (CID 1488423) is dimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is COC(=O)c1c(C(=O)OC)c(-c2ccc(F)cc2)n2c1CSC2.
What is the InChIKey of dimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The InChIKey is SJKDGTMOKHTUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4S/c1-21-15(19)12-11-7-23-8-18(11)14(13(12)16(20)22-2)9-3-5-10(17)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of dimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
dimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate has a molecular weight of 335.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(4-fluorophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is sourced from PubChem (CID 1488423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).