N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C16H19N3O2S — CID 2947710

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1C
InChIInChI=1S/C16H19N3O2S/c1-10-3-4-13(7-11(10)2)19-9-12(8-14(19)20)15(21)18-16-17-5-6-22-16/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,17,18,21)
InChIKeySUQVYCJROLFTAI-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.88
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2947710) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2947710
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1C
InChIInChI=1S/C16H19N3O2S/c1-10-3-4-13(7-11(10)2)19-9-12(8-14(19)20)15(21)18-16-17-5-6-22-16/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,17,18,21)
InChIKeySUQVYCJROLFTAI-UHFFFAOYSA-N
XLogP1.88
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2947710) is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1C.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SUQVYCJROLFTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-3-4-13(7-11(10)2)19-9-12(8-14(19)20)15(21)18-16-17-5-6-22-16/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,17,18,21).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2947710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).