2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide

C15H13N3O2S2 — CID 7407629

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccco1
InChIInChI=1S/C15H13N3O2S2/c1-10(12-6-4-8-20-12)17-18-14(19)9-21-15-16-11-5-2-3-7-13(11)22-15/h2-8H,9H2,1H3,(H,18,19)/b17-10+
InChIKeyQQTALBIAEVXTTG-LICLKQGHSA-N
MW331.42 g/mol
LogP3.52
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide (PubChem CID 7407629) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
PubChem CID7407629
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccco1
InChIInChI=1S/C15H13N3O2S2/c1-10(12-6-4-8-20-12)17-18-14(19)9-21-15-16-11-5-2-3-7-13(11)22-15/h2-8H,9H2,1H3,(H,18,19)/b17-10+
InChIKeyQQTALBIAEVXTTG-LICLKQGHSA-N
XLogP3.52
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-1-(furan-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide (CID 7407629) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide is C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccco1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
The InChIKey is QQTALBIAEVXTTG-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-10(12-6-4-8-20-12)17-18-14(19)9-21-15-16-11-5-2-3-7-13(11)22-15/h2-8H,9H2,1H3,(H,18,19)/b17-10+.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide has a molecular weight of 331.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 7407629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).