N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C18H13N3O2S — CID 6460295

IUPACN-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C18H13N3O2S/c1-10-15(11-6-2-3-7-12(11)19-10)16(22)17(23)21-18-20-13-8-4-5-9-14(13)24-18/h2-9,19H,1H3,(H,20,21,23)
InChIKeyJZUFURLKLYHTIP-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.91
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 6460295) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID6460295
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C18H13N3O2S/c1-10-15(11-6-2-3-7-12(11)19-10)16(22)17(23)21-18-20-13-8-4-5-9-14(13)24-18/h2-9,19H,1H3,(H,20,21,23)
InChIKeyJZUFURLKLYHTIP-UHFFFAOYSA-N
XLogP3.91
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
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CID 134052247
2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide
CID 121024652
N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
CID 43397690
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CID 4904222
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CID 171348214
N-(1,3-benzothiazol-2-yl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846883
N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine
CID 155348789
N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 27186880
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-phenoxyphenyl)acetamide
CID 44596683
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
1-(1,3-benzothiazol-2-yl)-3-methylurea;molecular hydrogen
CID 143832534

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 6460295) is N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is JZUFURLKLYHTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-10-15(11-6-2-3-7-12(11)19-10)16(22)17(23)21-18-20-13-8-4-5-9-14(13)24-18/h2-9,19H,1H3,(H,20,21,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 335.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 6460295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).