ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate

C19H18FN3O3S — CID 5061566

IUPACethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)Nc2nccs2)c1C
InChIInChI=1S/C19H18FN3O3S/c1-3-26-18(25)15-10-16(13-4-6-14(20)7-5-13)23(12(15)2)11-17(24)22-19-21-8-9-27-19/h4-10H,3,11H2,1-2H3,(H,21,22,24)
InChIKeyOIGYICMYCHNOQN-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.87
Rot. Bonds6

About ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate

ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate (PubChem CID 5061566) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate
PubChem CID5061566
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Nameethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)Nc2nccs2)c1C
InChIInChI=1S/C19H18FN3O3S/c1-3-26-18(25)15-10-16(13-4-6-14(20)7-5-13)23(12(15)2)11-17(24)22-19-21-8-9-27-19/h4-10H,3,11H2,1-2H3,(H,21,22,24)
InChIKeyOIGYICMYCHNOQN-UHFFFAOYSA-N
XLogP3.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate with MolForge

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Related Compounds

Ethyl 2-methyl-1-{2-[(4-methyl-1,3-benzothiazol-2-YL)carbamoyl]ethyl}-5-phenyl-1H-pyrrole-3-carboxylate
CID 4520917
5-[2-(4-fluorophenyl)-2-methoxyethyl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 44397353
5-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 44397354
Benzoic acid 2-[4-(thiazol-2-ylcarbamoyl)-thiazol-5-yl]-ethyl ester
CID 44397437
5-[2-(2-fluorophenyl)-2-methoxyethyl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 44397611
Ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate
CID 2374963
Ethyl 2-(6-(4-fluorophenyl)-3-methylimidazo[2,1-b]thiazole-2-carboxamido)benzoate
CID 16029624
Ethyl 1-ethyl-2,5-dimethyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxylate
CID 24246112
Ethyl 1-({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-YL]carbamoyl}methyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 3405648
Ethyl 5-(4-fluorophenyl)-2-methyl-1-{2-[(6-methyl-1,3-benzothiazol-2-YL)carbamoyl]ethyl}-1H-pyrrole-3-carboxylate
CID 4994811
Ethyl 5-(4-fluorophenyl)-2-methyl-1-({[(thiophen-2-YL)methyl]carbamoyl}methyl)-1H-pyrrole-3-carboxylate
CID 20969536
ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxoprop-1-enyl]pyrrole-3-carboxylate
CID 41485042

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate (CID 5061566) is ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)Nc2nccs2)c1C.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate?
The InChIKey is OIGYICMYCHNOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-3-26-18(25)15-10-16(13-4-6-14(20)7-5-13)23(12(15)2)11-17(24)22-19-21-8-9-27-19/h4-10H,3,11H2,1-2H3,(H,21,22,24).
What are the key properties of ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate?
ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate is sourced from PubChem (CID 5061566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).