3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

C18H18N2O2S2 — CID 55381245

IUPAC3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C18H18N2O2S2/c1-2-22-15-7-4-3-6-13(15)9-10-17(21)20-18-19-14(12-24-18)16-8-5-11-23-16/h3-8,11-12H,2,9-10H2,1H3,(H,19,20,21)
InChIKeyBHEOXMSXFLWHMX-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.84
Rot. Bonds7

About 3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 55381245) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID55381245
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C18H18N2O2S2/c1-2-22-15-7-4-3-6-13(15)9-10-17(21)20-18-19-14(12-24-18)16-8-5-11-23-16/h3-8,11-12H,2,9-10H2,1H3,(H,19,20,21)
InChIKeyBHEOXMSXFLWHMX-UHFFFAOYSA-N
XLogP4.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915788
4-(2-fluorophenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 55928851
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
3-(5-phenyl-1,3-oxazol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 16592790
2-(2-fluorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2080859
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55896365
3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 55807465
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
CID 112830370
3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 108742100
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 108742129

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (CID 55381245) is 3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is CCOc1ccccc1CCC(=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is BHEOXMSXFLWHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-2-22-15-7-4-3-6-13(15)9-10-17(21)20-18-19-14(12-24-18)16-8-5-11-23-16/h3-8,11-12H,2,9-10H2,1H3,(H,19,20,21).
What are the key properties of 3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 358.49 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 55381245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).