N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C21H19N3O2S2 — CID 78775525

IUPACN-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCOc1ccc(N(C(=O)Cc2csc(C)n2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C21H19N3O2S2/c1-3-26-17-10-8-16(9-11-17)24(20(25)12-15-13-27-14(2)22-15)21-23-18-6-4-5-7-19(18)28-21/h4-11,13H,3,12H2,1-2H3
InChIKeyZAIXULOBXUWTIG-UHFFFAOYSA-N
MW409.54 g/mol
LogP5.37
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 78775525) has the molecular formula C21H19N3O2S2 and a molecular weight of 409.54 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID78775525
Molecular FormulaC21H19N3O2S2
Molecular Weight409.54 g/mol
Exact Mass409.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCOc1ccc(N(C(=O)Cc2csc(C)n2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C21H19N3O2S2/c1-3-26-17-10-8-16(9-11-17)24(20(25)12-15-13-27-14(2)22-15)21-23-18-6-4-5-7-19(18)28-21/h4-11,13H,3,12H2,1-2H3
InChIKeyZAIXULOBXUWTIG-UHFFFAOYSA-N
XLogP5.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.54
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide
CID 9208855
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide
CID 75981701
N-(1,3-benzothiazol-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 55580881
N-[3-[N-(1,3-benzothiazol-2-yl)-4-ethoxyanilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 112816133
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 46586329
(3S)-N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41214666
N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16560118
N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16560119
N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 7543226
N-(1,3-benzothiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethoxyphenyl)benzamide
CID 55381075
1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 79818598
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide
CID 2573049

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 78775525) is N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CCOc1ccc(N(C(=O)Cc2csc(C)n2)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ZAIXULOBXUWTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S2/c1-3-26-17-10-8-16(9-11-17)24(20(25)12-15-13-27-14(2)22-15)21-23-18-6-4-5-7-19(18)28-21/h4-11,13H,3,12H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 409.54 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 78775525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).