3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide

C19H18N2O3S — CID 110354990

IUPAC3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide
SMILESCc1csc(-c2cccc(C(=O)NOCCOc3ccccc3)c2)n1
InChIInChI=1S/C19H18N2O3S/c1-14-13-25-19(20-14)16-7-5-6-15(12-16)18(22)21-24-11-10-23-17-8-3-2-4-9-17/h2-9,12-13H,10-11H2,1H3,(H,21,22)
InChIKeyCFVGNEOHPPHBBV-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.86
Rot. Bonds7

About 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide

3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide (PubChem CID 110354990) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide
PubChem CID110354990
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide
SMILESCc1csc(-c2cccc(C(=O)NOCCOc3ccccc3)c2)n1
InChIInChI=1S/C19H18N2O3S/c1-14-13-25-19(20-14)16-7-5-6-15(12-16)18(22)21-24-11-10-23-17-8-3-2-4-9-17/h2-9,12-13H,10-11H2,1H3,(H,21,22)
InChIKeyCFVGNEOHPPHBBV-UHFFFAOYSA-N
XLogP3.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide (CID 110354990) is 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide is Cc1csc(-c2cccc(C(=O)NOCCOc3ccccc3)c2)n1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide?
The InChIKey is CFVGNEOHPPHBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-14-13-25-19(20-14)16-7-5-6-15(12-16)18(22)21-24-11-10-23-17-8-3-2-4-9-17/h2-9,12-13H,10-11H2,1H3,(H,21,22).
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide?
3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide has a molecular weight of 354.43 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 110354990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).