3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide

C16H20N2O4S — CID 718089

IUPAC3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2nccs2)cc(OCC)c1OCC
InChIInChI=1S/C16H20N2O4S/c1-4-20-12-9-11(15(19)18-16-17-7-8-23-16)10-13(21-5-2)14(12)22-6-3/h7-10H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyQLFXBYDOOGCSGL-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.59
Rot. Bonds8

About 3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide

3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 718089) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID718089
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2nccs2)cc(OCC)c1OCC
InChIInChI=1S/C16H20N2O4S/c1-4-20-12-9-11(15(19)18-16-17-7-8-23-16)10-13(21-5-2)14(12)22-6-3/h7-10H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyQLFXBYDOOGCSGL-UHFFFAOYSA-N
XLogP3.59
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-Trimethoxy-N-(1,3-thiazol-2-YL)benzamide
CID 606801
4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
N-(5-(3,5-difluorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45270906
N-(1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 669593
3-Isopropoxy-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 11154711
3-[(1S)-2-hydroxy-1-methylethoxy]-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide
CID 11662332
N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4527908
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8195301
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 2192756
3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721807
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1085315

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide (CID 718089) is 3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide is CCOc1cc(C(=O)Nc2nccs2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is QLFXBYDOOGCSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-4-20-12-9-11(15(19)18-16-17-7-8-23-16)10-13(21-5-2)14(12)22-6-3/h7-10H,4-6H2,1-3H3,(H,17,18,19).
What are the key properties of 3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide?
3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 336.41 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 718089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).