(2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H21N3O2S — CID 97457940

IUPAC(2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc([C@@H]2[C@H](C(=O)Nc3nc(C)c(C)s3)CC(=O)N2C)cc1
InChIInChI=1S/C18H21N3O2S/c1-10-5-7-13(8-6-10)16-14(9-15(22)21(16)4)17(23)20-18-19-11(2)12(3)24-18/h5-8,14,16H,9H2,1-4H3,(H,19,20,23)/t14-,16-/m1/s1
InChIKeyZAGXSOHUYVHUHF-GDBMZVCRSA-N
MW343.45 g/mol
LogP3.23
Rot. Bonds3

About (2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97457940) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97457940
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc([C@@H]2[C@H](C(=O)Nc3nc(C)c(C)s3)CC(=O)N2C)cc1
InChIInChI=1S/C18H21N3O2S/c1-10-5-7-13(8-6-10)16-14(9-15(22)21(16)4)17(23)20-18-19-11(2)12(3)24-18/h5-8,14,16H,9H2,1-4H3,(H,19,20,23)/t14-,16-/m1/s1
InChIKeyZAGXSOHUYVHUHF-GDBMZVCRSA-N
XLogP3.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 97457940) is (2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc([C@@H]2[C@H](C(=O)Nc3nc(C)c(C)s3)CC(=O)N2C)cc1.
What is the InChIKey of (2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZAGXSOHUYVHUHF-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-10-5-7-13(8-6-10)16-14(9-15(22)21(16)4)17(23)20-18-19-11(2)12(3)24-18/h5-8,14,16H,9H2,1-4H3,(H,19,20,23)/t14-,16-/m1/s1.
What are the key properties of (2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97457940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).