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

C19H17N3O3S — CID 38429837

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cc4ccc(OC)cc4[nH]3)sc2c1
InChIInChI=1S/C19H17N3O3S/c1-3-25-13-6-7-14-17(10-13)26-19(21-14)22-18(23)16-8-11-4-5-12(24-2)9-15(11)20-16/h4-10,20H,3H2,1-2H3,(H,21,22,23)
InChIKeyQCCZAGQMQZGICA-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.44
Rot. Bonds5

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide (PubChem CID 38429837) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
PubChem CID38429837
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cc4ccc(OC)cc4[nH]3)sc2c1
InChIInChI=1S/C19H17N3O3S/c1-3-25-13-6-7-14-17(10-13)26-19(21-14)22-18(23)16-8-11-4-5-12(24-2)9-15(11)20-16/h4-10,20H,3H2,1-2H3,(H,21,22,23)
InChIKeyQCCZAGQMQZGICA-UHFFFAOYSA-N
XLogP4.44
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 20925611
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 43952122
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide (CID 38429837) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide is CCOc1ccc2nc(NC(=O)c3cc4ccc(OC)cc4[nH]3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is QCCZAGQMQZGICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-3-25-13-6-7-14-17(10-13)26-19(21-14)22-18(23)16-8-11-4-5-12(24-2)9-15(11)20-16/h4-10,20H,3H2,1-2H3,(H,21,22,23).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 38429837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).