1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C24H25N3O3S — CID 71795486

IUPAC1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCc3sc(-c4ccccc4C)nc3C)CC2=O)c1
InChIInChI=1S/C24H25N3O3S/c1-15-7-4-5-10-20(15)24-26-16(2)21(31-24)13-25-23(29)17-11-22(28)27(14-17)18-8-6-9-19(12-18)30-3/h4-10,12,17H,11,13-14H2,1-3H3,(H,25,29)
InChIKeyBKKIOEPSTPKNIX-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.10
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 71795486) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID71795486
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCc3sc(-c4ccccc4C)nc3C)CC2=O)c1
InChIInChI=1S/C24H25N3O3S/c1-15-7-4-5-10-20(15)24-26-16(2)21(31-24)13-25-23(29)17-11-22(28)27(14-17)18-8-6-9-19(12-18)30-3/h4-10,12,17H,11,13-14H2,1-3H3,(H,25,29)
InChIKeyBKKIOEPSTPKNIX-UHFFFAOYSA-N
XLogP4.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 121123213
3-methoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546993
1-(3-methoxyphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547272
1-(3-methoxyphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 90569595
1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 16866574
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16867459
1-(3-methoxyphenyl)-5-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxamide
CID 122261972
(3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95100405
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800985
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 71795486) is 1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)NCc3sc(-c4ccccc4C)nc3C)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BKKIOEPSTPKNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-15-7-4-5-10-20(15)24-26-16(2)21(31-24)13-25-23(29)17-11-22(28)27(14-17)18-8-6-9-19(12-18)30-3/h4-10,12,17H,11,13-14H2,1-3H3,(H,25,29).
What are the key properties of 1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71795486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).