1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide

C20H19N3O3S — CID 35997003

IUPAC1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc4c(c3)CCN4C(C)=O)sc2c1
InChIInChI=1S/C20H19N3O3S/c1-3-26-15-5-6-16-18(11-15)27-20(21-16)22-19(25)14-4-7-17-13(10-14)8-9-23(17)12(2)24/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,22,25)
InChIKeyAKSYKZAOUWIYKD-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.86
Rot. Bonds4

About 1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide

1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide (PubChem CID 35997003) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide
PubChem CID35997003
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc4c(c3)CCN4C(C)=O)sc2c1
InChIInChI=1S/C20H19N3O3S/c1-3-26-15-5-6-16-18(11-15)27-20(21-16)22-19(25)14-4-7-17-13(10-14)8-9-23(17)12(2)24/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,22,25)
InChIKeyAKSYKZAOUWIYKD-UHFFFAOYSA-N
XLogP3.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047752
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
CID 26251688
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide (CID 35997003) is 1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide is CCOc1ccc2nc(NC(=O)c3ccc4c(c3)CCN4C(C)=O)sc2c1.
What is the InChIKey of 1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is AKSYKZAOUWIYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-3-26-15-5-6-16-18(11-15)27-20(21-16)22-19(25)14-4-7-17-13(10-14)8-9-23(17)12(2)24/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,22,25).
What are the key properties of 1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 35997003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).