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

C16H11N3OS — CID 43397690

IUPACN-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H11N3OS/c20-15(13-9-10-5-1-2-6-11(10)17-13)19-16-18-12-7-3-4-8-14(12)21-16/h1-9,17H,(H,18,19,20)
InChIKeyZQAMAABPPVTIOA-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.03
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide (PubChem CID 43397690) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
PubChem CID43397690
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H11N3OS/c20-15(13-9-10-5-1-2-6-11(10)17-13)19-16-18-12-7-3-4-8-14(12)21-16/h1-9,17H,(H,18,19,20)
InChIKeyZQAMAABPPVTIOA-UHFFFAOYSA-N
XLogP4.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide
CID 50784269
N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60784651
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide
CID 46290900
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60717086
N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 46916963
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
N-(1,3-benzothiazol-2-yl)-1-(5-chloro-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 86945118
N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide
CID 171348214
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide (CID 43397690) is N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide is O=C(Nc1nc2ccccc2s1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is ZQAMAABPPVTIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c20-15(13-9-10-5-1-2-6-11(10)17-13)19-16-18-12-7-3-4-8-14(12)21-16/h1-9,17H,(H,18,19,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 4.03, 2 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)-1H-indole-2-carboxamide is sourced from PubChem (CID 43397690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).