N-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide

C16H10BrN3OS — CID 43952272

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H10BrN3OS/c17-9-5-6-13-14(7-9)22-16(19-13)20-15(21)11-8-18-12-4-2-1-3-10(11)12/h1-8,18H,(H,19,20,21)
InChIKeyWBWQGPCRSSCYAV-UHFFFAOYSA-N
MW372.25 g/mol
LogP4.79
Rot. Bonds2

About N-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide

N-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide (PubChem CID 43952272) has the molecular formula C16H10BrN3OS and a molecular weight of 372.25 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
PubChem CID43952272
Molecular FormulaC16H10BrN3OS
Molecular Weight372.25 g/mol
Exact Mass370.97
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H10BrN3OS/c17-9-5-6-13-14(7-9)22-16(19-13)20-15(21)11-8-18-12-4-2-1-3-10(11)12/h1-8,18H,(H,19,20,21)
InChIKeyWBWQGPCRSSCYAV-UHFFFAOYSA-N
XLogP4.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide (CID 43952272) is N-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide is O=C(Nc1nc2ccc(Br)cc2s1)c1c[nH]c2ccccc12.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The InChIKey is WBWQGPCRSSCYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3OS/c17-9-5-6-13-14(7-9)22-16(19-13)20-15(21)11-8-18-12-4-2-1-3-10(11)12/h1-8,18H,(H,19,20,21).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide has a molecular weight of 372.25 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 43952272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).