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

C17H13N3OS — CID 2161796

IUPACN-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2s1
InChIInChI=1S/C17H13N3OS/c21-16(9-11-10-18-13-6-2-1-5-12(11)13)20-17-19-14-7-3-4-8-15(14)22-17/h1-8,10,18H,9H2,(H,19,20,21)
InChIKeyBJZUVKVWKVGPDC-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.96
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)acetamide (PubChem CID 2161796) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)acetamide
PubChem CID2161796
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2s1
InChIInChI=1S/C17H13N3OS/c21-16(9-11-10-18-13-6-2-1-5-12(11)13)20-17-19-14-7-3-4-8-15(14)22-17/h1-8,10,18H,9H2,(H,19,20,21)
InChIKeyBJZUVKVWKVGPDC-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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)acetamide (CID 2161796) is N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is BJZUVKVWKVGPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-16(9-11-10-18-13-6-2-1-5-12(11)13)20-17-19-14-7-3-4-8-15(14)22-17/h1-8,10,18H,9H2,(H,19,20,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-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-2-yl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 2161796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).