methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

C21H20N4O5S — CID 42947384

IUPACmethyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2csc(NC(=O)C3CC(=O)N(c4cccc(OC)c4)C3)n2)c[nH]1
InChIInChI=1S/C21H20N4O5S/c1-29-15-5-3-4-14(8-15)25-10-13(7-18(25)26)19(27)24-21-23-17(11-31-21)12-6-16(22-9-12)20(28)30-2/h3-6,8-9,11,13,22H,7,10H2,1-2H3,(H,23,24,27)
InChIKeyRHEMOSZWUSACHX-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.92
Rot. Bonds6

About methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate (PubChem CID 42947384) has the molecular formula C21H20N4O5S and a molecular weight of 440.48 g/mol. Its IUPAC name is methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
PubChem CID42947384
Molecular FormulaC21H20N4O5S
Molecular Weight440.48 g/mol
Exact Mass440.12
IUPAC Namemethyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2csc(NC(=O)C3CC(=O)N(c4cccc(OC)c4)C3)n2)c[nH]1
InChIInChI=1S/C21H20N4O5S/c1-29-15-5-3-4-14(8-15)25-10-13(7-18(25)26)19(27)24-21-23-17(11-31-21)12-6-16(22-9-12)20(28)30-2/h3-6,8-9,11,13,22H,7,10H2,1-2H3,(H,23,24,27)
InChIKeyRHEMOSZWUSACHX-UHFFFAOYSA-N
XLogP2.92
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 4-[2-(oxane-4-carbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 30710746
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569326
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578508
methyl 4-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 71943404
1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16547907
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
methyl 4-[2-(1,3-thiazolidine-4-carbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 119277943
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057156
1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 52992827
methyl 4-[2-(1,3-thiazolidine-4-carbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate;hydrochloride
CID 119277942
1-(4-methylphenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55334112
(3R)-1-(3-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 41145410

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate (CID 42947384) is methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(-c2csc(NC(=O)C3CC(=O)N(c4cccc(OC)c4)C3)n2)c[nH]1.
What is the InChIKey of methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate?
The InChIKey is RHEMOSZWUSACHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5S/c1-29-15-5-3-4-14(8-15)25-10-13(7-18(25)26)19(27)24-21-23-17(11-31-21)12-6-16(22-9-12)20(28)30-2/h3-6,8-9,11,13,22H,7,10H2,1-2H3,(H,23,24,27).
What are the key properties of methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate?
methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate has a molecular weight of 440.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 42947384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).