N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide

C19H23N3O3S — CID 53125052

IUPACN-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc(N3CCCC3=O)nc2C(C)C)cc1
InChIInChI=1S/C19H23N3O3S/c1-12(2)16-17(26-19(21-16)22-10-4-5-15(22)23)18(24)20-11-13-6-8-14(25-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,24)
InChIKeyHNLKTKWIFCNTMY-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.33
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide

N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 53125052) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID53125052
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc(N3CCCC3=O)nc2C(C)C)cc1
InChIInChI=1S/C19H23N3O3S/c1-12(2)16-17(26-19(21-16)22-10-4-5-15(22)23)18(24)20-11-13-6-8-14(25-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,24)
InChIKeyHNLKTKWIFCNTMY-UHFFFAOYSA-N
XLogP3.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 20958320
4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134372
4-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 26690017
N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 24799233
(3R)-N-[(4-methoxyphenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 92710812
N-[3-(4-methoxyphenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55921192
2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 77098065
(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 92736855
4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 155508603
2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 27171286
N-[(4-methoxyphenyl)methyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584394
N-[(4-fluorophenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9270484

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide (CID 53125052) is N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide is COc1ccc(CNC(=O)c2sc(N3CCCC3=O)nc2C(C)C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is HNLKTKWIFCNTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12(2)16-17(26-19(21-16)22-10-4-5-15(22)23)18(24)20-11-13-6-8-14(25-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53125052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).