2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide

C18H14N4OS2 — CID 135419987

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2s1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C18H14N4OS2/c23-17(11-24-18-21-15-7-3-4-8-16(15)25-18)22-20-10-12-9-19-14-6-2-1-5-13(12)14/h1-10,19H,11H2,(H,22,23)/b20-10+
InChIKeyLCGJHHIGJHKPCO-KEBDBYFISA-N
MW366.47 g/mol
LogP4.02
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide (PubChem CID 135419987) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
PubChem CID135419987
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2s1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C18H14N4OS2/c23-17(11-24-18-21-15-7-3-4-8-16(15)25-18)22-20-10-12-9-19-14-6-2-1-5-13(12)14/h1-10,19H,11H2,(H,22,23)/b20-10+
InChIKeyLCGJHHIGJHKPCO-KEBDBYFISA-N
XLogP4.02
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide (CID 135419987) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide is O=C(CSc1nc2ccccc2s1)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The InChIKey is LCGJHHIGJHKPCO-KEBDBYFISA-N. The full InChI is InChI=1S/C18H14N4OS2/c23-17(11-24-18-21-15-7-3-4-8-16(15)25-18)22-20-10-12-9-19-14-6-2-1-5-13(12)14/h1-10,19H,11H2,(H,22,23)/b20-10+.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide has a molecular weight of 366.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 135419987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).