N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C15H15N3O3S2 — CID 9467969

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)Cn3c(C)csc3=O)sc2c1
InChIInChI=1S/C15H15N3O3S2/c1-3-21-10-4-5-11-12(6-10)23-14(16-11)17-13(19)7-18-9(2)8-22-15(18)20/h4-6,8H,3,7H2,1-2H3,(H,16,17,19)
InChIKeyVMGZCQLELKQESB-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.87
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 9467969) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID9467969
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)Cn3c(C)csc3=O)sc2c1
InChIInChI=1S/C15H15N3O3S2/c1-3-21-10-4-5-11-12(6-10)23-14(16-11)17-13(19)7-18-9(2)8-22-15(18)20/h4-6,8H,3,7H2,1-2H3,(H,16,17,19)
InChIKeyVMGZCQLELKQESB-UHFFFAOYSA-N
XLogP2.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide with MolForge

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Related Compounds

Diamthazole
CID 8708
Frentizole
CID 33334
Tioxidazole
CID 72157
Amino-6-ethoxybenzothiazole, 2-
CID 7192
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
1-Cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
CID 750421
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
2,2-dibromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylcyclopropanecarboxamide
CID 4171316
N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 739344
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide
CID 2568857
1-(6-Methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 8895574

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 9467969) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is CCOc1ccc2nc(NC(=O)Cn3c(C)csc3=O)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is VMGZCQLELKQESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-3-21-10-4-5-11-12(6-10)23-14(16-11)17-13(19)7-18-9(2)8-22-15(18)20/h4-6,8H,3,7H2,1-2H3,(H,16,17,19).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 9467969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).