N-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide

C17H13N3OS — CID 112525715

IUPACN-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide
SMILESO=C(Cc1ccc2[nH]ccc2c1)Nc1ccc2scnc2c1
InChIInChI=1S/C17H13N3OS/c21-17(8-11-1-3-14-12(7-11)5-6-18-14)20-13-2-4-16-15(9-13)19-10-22-16/h1-7,9-10,18H,8H2,(H,20,21)
InChIKeyBADSZBWISADODI-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.96
Rot. Bonds3

About N-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide

N-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide (PubChem CID 112525715) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide
PubChem CID112525715
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC NameN-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide
SMILESO=C(Cc1ccc2[nH]ccc2c1)Nc1ccc2scnc2c1
InChIInChI=1S/C17H13N3OS/c21-17(8-11-1-3-14-12(7-11)5-6-18-14)20-13-2-4-16-15(9-13)19-10-22-16/h1-7,9-10,18H,8H2,(H,20,21)
InChIKeyBADSZBWISADODI-UHFFFAOYSA-N
XLogP3.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-N-(1H-indol-5-yl)acetamide
CID 110472843
N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide
CID 18585528
N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide
CID 131932444
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
2-(1H-indol-5-yl)-N-(6-methoxypyridazin-3-yl)acetamide
CID 68638504
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
N-(4-ethylphenyl)-2-(1H-indol-6-yl)acetamide
CID 110476500
N-cycloheptyl-2-(1H-indol-5-yl)acetamide
CID 84577573
N-(2,4-dichlorophenyl)-2-(1H-indol-5-yl)acetamide
CID 110476487
2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid
CID 175488495
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide
CID 68991837

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide (CID 112525715) is N-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide is O=C(Cc1ccc2[nH]ccc2c1)Nc1ccc2scnc2c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide?
The InChIKey is BADSZBWISADODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-17(8-11-1-3-14-12(7-11)5-6-18-14)20-13-2-4-16-15(9-13)19-10-22-16/h1-7,9-10,18H,8H2,(H,20,21).
What are the key properties of N-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide?
N-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide has a molecular weight of 307.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-2-(1H-indol-5-yl)acetamide is sourced from PubChem (CID 112525715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).