N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide

C17H20N2O4S — CID 51248167

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nc(C(C)=O)cs2)cc1OCC
InChIInChI=1S/C17H20N2O4S/c1-4-8-23-14-7-6-12(9-15(14)22-5-2)16(21)19-17-18-13(10-24-17)11(3)20/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,21)
InChIKeyFFTGJHAWJWVIGK-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.79
Rot. Bonds8

About N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide (PubChem CID 51248167) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide
PubChem CID51248167
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nc(C(C)=O)cs2)cc1OCC
InChIInChI=1S/C17H20N2O4S/c1-4-8-23-14-7-6-12(9-15(14)22-5-2)16(21)19-17-18-13(10-24-17)11(3)20/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,21)
InChIKeyFFTGJHAWJWVIGK-UHFFFAOYSA-N
XLogP3.79
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide
CID 55373062
N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 26469303
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55333530
N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide
CID 64544456
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
CID 112706110
3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346
ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51229930
3-ethoxy-4-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24570098
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide
CID 16548905

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide (CID 51248167) is N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2nc(C(C)=O)cs2)cc1OCC.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide?
The InChIKey is FFTGJHAWJWVIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-8-23-14-7-6-12(9-15(14)22-5-2)16(21)19-17-18-13(10-24-17)11(3)20/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,21).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide has a molecular weight of 348.42 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 51248167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).