2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C19H21N3O3S — CID 126774162

IUPAC2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cccc(N2CCCC2=O)c1)c1cnc(C2CCCO2)s1
InChIInChI=1S/C19H21N3O3S/c23-17-7-2-8-22(17)14-5-1-4-13(10-14)11-20-18(24)16-12-21-19(26-16)15-6-3-9-25-15/h1,4-5,10,12,15H,2-3,6-9,11H2,(H,20,24)
InChIKeyQHQRQLBZUSKTBY-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.05
Rot. Bonds5

About 2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide

2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 126774162) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID126774162
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cccc(N2CCCC2=O)c1)c1cnc(C2CCCO2)s1
InChIInChI=1S/C19H21N3O3S/c23-17-7-2-8-22(17)14-5-1-4-13(10-14)11-20-18(24)16-12-21-19(26-16)15-6-3-9-25-15/h1,4-5,10,12,15H,2-3,6-9,11H2,(H,20,24)
InChIKeyQHQRQLBZUSKTBY-UHFFFAOYSA-N
XLogP3.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
5-cyclopropyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 39516950
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120513587
2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120530693
2-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 167959146
3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39517268
3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 39516427
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
CID 120515303
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 39003298
1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 125162893
(3R)-1-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 95904457

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 126774162) is 2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1cccc(N2CCCC2=O)c1)c1cnc(C2CCCO2)s1.
What is the InChIKey of 2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QHQRQLBZUSKTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-17-7-2-8-22(17)14-5-1-4-13(10-14)11-20-18(24)16-12-21-19(26-16)15-6-3-9-25-15/h1,4-5,10,12,15H,2-3,6-9,11H2,(H,20,24).
What are the key properties of 2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126774162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).