5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide

C22H20ClN3O3S — CID 58740433

IUPAC5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2csc(-c3ccccc3Cl)n2)n(-c2ccco2)c1C
InChIInChI=1S/C22H20ClN3O3S/c1-14-16(21(27)24-9-11-28-2)12-19(26(14)20-8-5-10-29-20)18-13-30-22(25-18)15-6-3-4-7-17(15)23/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,27)
InChIKeyROPSOYXWPYKUAL-UHFFFAOYSA-N
MW441.94 g/mol
LogP5.20
Rot. Bonds7

About 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide

5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide (PubChem CID 58740433) has the molecular formula C22H20ClN3O3S and a molecular weight of 441.94 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide
PubChem CID58740433
Molecular FormulaC22H20ClN3O3S
Molecular Weight441.94 g/mol
Exact Mass441.09
IUPAC Name5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2csc(-c3ccccc3Cl)n2)n(-c2ccco2)c1C
InChIInChI=1S/C22H20ClN3O3S/c1-14-16(21(27)24-9-11-28-2)12-19(26(14)20-8-5-10-29-20)18-13-30-22(25-18)15-6-3-4-7-17(15)23/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,27)
InChIKeyROPSOYXWPYKUAL-UHFFFAOYSA-N
XLogP5.20
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.94
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide
CID 58740314
1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 4254737
N-butyl-5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 5009040
N-butyl-5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-cyclohexyl-2-methylpyrrole-3-carboxamide
CID 58740306
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)-1-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide
CID 3834283
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-2-methyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
CID 3482177
1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 3669458
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 134082676
1-(furan-2-ylmethyl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3690278
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 3854725
N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 3734919
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-heptan-3-yl-2-methylpyrrole-3-carboxamide
CID 58740245

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide (CID 58740433) is 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide is COCCNC(=O)c1cc(-c2csc(-c3ccccc3Cl)n2)n(-c2ccco2)c1C.
What is the InChIKey of 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is ROPSOYXWPYKUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3S/c1-14-16(21(27)24-9-11-28-2)12-19(26(14)20-8-5-10-29-20)18-13-30-22(25-18)15-6-3-4-7-17(15)23/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,27).
What are the key properties of 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide?
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 441.94 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 58740433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).