[2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

C17H20N2O3S2 — CID 18122805

IUPAC[2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCCCCCC1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C17H20N2O3S2/c20-15(19-7-4-2-1-3-5-8-19)10-22-17(21)14-12-24-16(18-14)13-6-9-23-11-13/h6,9,11-12H,1-5,7-8,10H2
InChIKeyWBWXGQHSMARXLD-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.82
Rot. Bonds4

About [2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

[2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 18122805) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
PubChem CID18122805
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name[2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCCCCCC1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C17H20N2O3S2/c20-15(19-7-4-2-1-3-5-8-19)10-22-17(21)14-12-24-16(18-14)13-6-9-23-11-13/h6,9,11-12H,1-5,7-8,10H2
InChIKeyWBWXGQHSMARXLD-UHFFFAOYSA-N
XLogP3.82
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate 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

[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522768
(2-oxo-2-piperidin-1-ylethyl) 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 33118572
2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55426094
2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55476103
azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
CID 8548115
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837945
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 8542517
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135397
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122802
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 55406381
1,3-benzothiazol-2-ylmethyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 40766094

Frequently Asked Questions

What is the IUPAC name of [2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (CID 18122805) is [2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is O=C(OCC(=O)N1CCCCCCC1)c1csc(-c2ccsc2)n1.
What is the InChIKey of [2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is WBWXGQHSMARXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c20-15(19-7-4-2-1-3-5-8-19)10-22-17(21)14-12-24-16(18-14)13-6-9-23-11-13/h6,9,11-12H,1-5,7-8,10H2.
What are the key properties of [2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
[2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 364.49 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 18122805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).