N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

C17H21N3O3S — CID 3154428

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-8-23-14-5-3-13(4-6-14)20-11-12(10-15(20)21)16(22)19-17-18-7-9-24-17/h3-6,12H,2,7-11H2,1H3,(H,18,19,22)
InChIKeyQKUHFAXSJPSHGE-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.05
Rot. Bonds5

About N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 3154428) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID3154428
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-8-23-14-5-3-13(4-6-14)20-11-12(10-15(20)21)16(22)19-17-18-7-9-24-17/h3-6,12H,2,7-11H2,1H3,(H,18,19,22)
InChIKeyQKUHFAXSJPSHGE-UHFFFAOYSA-N
XLogP2.05
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide (CID 3154428) is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide is CCCOc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is QKUHFAXSJPSHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-8-23-14-5-3-13(4-6-14)20-11-12(10-15(20)21)16(22)19-17-18-7-9-24-17/h3-6,12H,2,7-11H2,1H3,(H,18,19,22).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3154428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).