1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C18H21N3O2S — CID 3814511

IUPAC1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)Nc3nccs3)CC2=O)ccc1C(C)C
InChIInChI=1S/C18H21N3O2S/c1-11(2)15-5-4-14(8-12(15)3)21-10-13(9-16(21)22)17(23)20-18-19-6-7-24-18/h4-8,11,13H,9-10H2,1-3H3,(H,19,20,23)
InChIKeyDZQBJMOSMBFUDG-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.57
Rot. Bonds4

About 1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 3814511) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID3814511
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)Nc3nccs3)CC2=O)ccc1C(C)C
InChIInChI=1S/C18H21N3O2S/c1-11(2)15-5-4-14(8-12(15)3)21-10-13(9-16(21)22)17(23)20-18-19-6-7-24-18/h4-8,11,13H,9-10H2,1-3H3,(H,19,20,23)
InChIKeyDZQBJMOSMBFUDG-UHFFFAOYSA-N
XLogP3.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 3814511) is 1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is Cc1cc(N2CC(C(=O)Nc3nccs3)CC2=O)ccc1C(C)C.
What is the InChIKey of 1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is DZQBJMOSMBFUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-11(2)15-5-4-14(8-12(15)3)21-10-13(9-16(21)22)17(23)20-18-19-6-7-24-18/h4-8,11,13H,9-10H2,1-3H3,(H,19,20,23).
What are the key properties of 1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propan-2-ylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3814511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).