(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone

C15H13NO2S — CID 5377877

IUPAC(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone
SMILESCCN1/C(=C/C(=O)c2ccco2)Sc2ccccc21
InChIInChI=1S/C15H13NO2S/c1-2-16-11-6-3-4-8-14(11)19-15(16)10-12(17)13-7-5-9-18-13/h3-10H,2H2,1H3/b15-10-
InChIKeyYHHNGOUUJHVMAA-GDNBJRDFSA-N
MW271.34 g/mol
LogP3.94
Rot. Bonds3

About (2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone

(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone (PubChem CID 5377877) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is (2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone
PubChem CID5377877
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone
SMILESCCN1/C(=C/C(=O)c2ccco2)Sc2ccccc21
InChIInChI=1S/C15H13NO2S/c1-2-16-11-6-3-4-8-14(11)19-15(16)10-12(17)13-7-5-9-18-13/h3-10H,2H2,1H3/b15-10-
InChIKeyYHHNGOUUJHVMAA-GDNBJRDFSA-N
XLogP3.94
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone?
The IUPAC name of (2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone (CID 5377877) is (2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone.
What is the SMILES notation for (2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone?
The canonical SMILES for (2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone is CCN1/C(=C/C(=O)c2ccco2)Sc2ccccc21.
What is the InChIKey of (2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone?
The InChIKey is YHHNGOUUJHVMAA-GDNBJRDFSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-2-16-11-6-3-4-8-14(11)19-15(16)10-12(17)13-7-5-9-18-13/h3-10H,2H2,1H3/b15-10-.
What are the key properties of (2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone?
(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone has a molecular weight of 271.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 5377877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).