N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide

C20H19N3O2S — CID 34261879

IUPACN-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2s1
InChIInChI=1S/C20H19N3O2S/c1-25-11-10-23(20-22-17-8-4-5-9-18(17)26-20)19(24)12-14-13-21-16-7-3-2-6-15(14)16/h2-9,13,21H,10-12H2,1H3
InChIKeyLEPQQFXDUQXGKV-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.00
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 34261879) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
PubChem CID34261879
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2s1
InChIInChI=1S/C20H19N3O2S/c1-25-11-10-23(20-22-17-8-4-5-9-18(17)26-20)19(24)12-14-13-21-16-7-3-2-6-15(14)16/h2-9,13,21H,10-12H2,1H3
InChIKeyLEPQQFXDUQXGKV-UHFFFAOYSA-N
XLogP4.00
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-tert-butylsulfanyl-N-(2-methoxyethyl)acetamide
CID 86921353
N-(1,3-benzothiazol-2-yl)-2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-methoxyethyl)acetamide
CID 55546116
2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82960282
N-[2-[1,3-benzothiazol-2-yl(2-methoxyethyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 55871506
2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103339966
N-(1,3-benzothiazol-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 55580881
N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 34262166
N-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 55580882
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
CID 30797489
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 8718657
2-[1,3-benzothiazol-2-yl-[2-(4-methoxyphenyl)acetyl]amino]ethyl-dimethylazanium
CID 8718648
N-(1,3-benzothiazol-2-yl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-methoxyethyl)acetamide
CID 55545821

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide (CID 34261879) is N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide is COCCN(C(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is LEPQQFXDUQXGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-25-11-10-23(20-22-17-8-4-5-9-18(17)26-20)19(24)12-14-13-21-16-7-3-2-6-15(14)16/h2-9,13,21H,10-12H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 365.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 34261879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).