N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide

C18H15N3OS — CID 43989177

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
SMILESCc1cc(C)c2sc(NC(=O)c3c[nH]c4ccccc34)nc2c1
InChIInChI=1S/C18H15N3OS/c1-10-7-11(2)16-15(8-10)20-18(23-16)21-17(22)13-9-19-14-6-4-3-5-12(13)14/h3-9,19H,1-2H3,(H,20,21,22)
InChIKeyBHBSHXKTMXVRLN-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.65
Rot. Bonds2

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide (PubChem CID 43989177) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
PubChem CID43989177
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
SMILESCc1cc(C)c2sc(NC(=O)c3c[nH]c4ccccc34)nc2c1
InChIInChI=1S/C18H15N3OS/c1-10-7-11(2)16-15(8-10)20-18(23-16)21-17(22)13-9-19-14-6-4-3-5-12(13)14/h3-9,19H,1-2H3,(H,20,21,22)
InChIKeyBHBSHXKTMXVRLN-UHFFFAOYSA-N
XLogP4.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 7193033
N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
CID 43952217
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide
CID 113205562
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 7192604
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8718281
N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide
CID 84543848
1-benzyl-3-(5,7-dimethyl-1,3-benzothiazol-2-yl)urea
CID 121080904
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4134437
methyl 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192914

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide (CID 43989177) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide is Cc1cc(C)c2sc(NC(=O)c3c[nH]c4ccccc34)nc2c1.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The InChIKey is BHBSHXKTMXVRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-10-7-11(2)16-15(8-10)20-18(23-16)21-17(22)13-9-19-14-6-4-3-5-12(13)14/h3-9,19H,1-2H3,(H,20,21,22).
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 43989177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).