N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide

C18H17N3O2S — CID 19920331

IUPACN-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESO=C1C=CC2=C(C1)SC(CCNC(=O)c1cc3ccccc3[nH]1)N2
InChIInChI=1S/C18H17N3O2S/c22-12-5-6-14-16(10-12)24-17(21-14)7-8-19-18(23)15-9-11-3-1-2-4-13(11)20-15/h1-6,9,17,20-21H,7-8,10H2,(H,19,23)
InChIKeyJCEJMWRQVHKZHQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide

N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 19920331) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID19920331
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESO=C1C=CC2=C(C1)SC(CCNC(=O)c1cc3ccccc3[nH]1)N2
InChIInChI=1S/C18H17N3O2S/c22-12-5-6-14-16(10-12)24-17(21-14)7-8-19-18(23)15-9-11-3-1-2-4-13(11)20-15/h1-6,9,17,20-21H,7-8,10H2,(H,19,23)
InChIKeyJCEJMWRQVHKZHQ-UHFFFAOYSA-N
XLogP2.69
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide (CID 19920331) is N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide is O=C1C=CC2=C(C1)SC(CCNC(=O)c1cc3ccccc3[nH]1)N2.
What is the InChIKey of N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is JCEJMWRQVHKZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-12-5-6-14-16(10-12)24-17(21-14)7-8-19-18(23)15-9-11-3-1-2-4-13(11)20-15/h1-6,9,17,20-21H,7-8,10H2,(H,19,23).
What are the key properties of N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide?
N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 19920331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).