3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C17H19N3O3S2 — CID 75191946

IUPAC3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccccc1C(=O)N1CSCC1C(=O)NCCc1cscn1
InChIInChI=1S/C17H19N3O3S2/c1-23-15-5-3-2-4-13(15)17(22)20-11-25-9-14(20)16(21)18-7-6-12-8-24-10-19-12/h2-5,8,10,14H,6-7,9,11H2,1H3,(H,18,21)
InChIKeyRSWUUWVFORAELM-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.03
Rot. Bonds6

About 3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 75191946) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID75191946
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccccc1C(=O)N1CSCC1C(=O)NCCc1cscn1
InChIInChI=1S/C17H19N3O3S2/c1-23-15-5-3-2-4-13(15)17(22)20-11-25-9-14(20)16(21)18-7-6-12-8-24-10-19-12/h2-5,8,10,14H,6-7,9,11H2,1H3,(H,18,21)
InChIKeyRSWUUWVFORAELM-UHFFFAOYSA-N
XLogP2.03
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(2-{2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}ethyl)benzamide
CID 7287525
2-{[1-(methylsulfonyl)piperidin-4-yl]oxy}-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 16189568
2-[1-(2-methoxybenzyl)-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 16190817
2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 23613053
2-[1-(2-methoxybenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 24791416
2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide
CID 24981675
2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35541451
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]benzamide
CID 71499363
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-4-methylbenzamide
CID 71499498
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate
CID 2413738
2-ethoxy-N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7518481
2-ethoxy-N-{2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7119214

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 75191946) is 3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is COc1ccccc1C(=O)N1CSCC1C(=O)NCCc1cscn1.
What is the InChIKey of 3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is RSWUUWVFORAELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-23-15-5-3-2-4-13(15)17(22)20-11-25-9-14(20)16(21)18-7-6-12-8-24-10-19-12/h2-5,8,10,14H,6-7,9,11H2,1H3,(H,18,21).
What are the key properties of 3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 75191946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).