(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide

C18H12N2O2S — CID 7916610

IUPAC(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C18H12N2O2S/c21-16(10-8-13-5-3-11-22-13)19-18-20-17-14-6-2-1-4-12(14)7-9-15(17)23-18/h1-11H,(H,19,20,21)/b10-8+
InChIKeyKQFXXADYUMPBPL-CSKARUKUSA-N
MW320.37 g/mol
LogP4.69
Rot. Bonds3

About (E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide

(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide (PubChem CID 7916610) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is (E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide
PubChem CID7916610
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C18H12N2O2S/c21-16(10-8-13-5-3-11-22-13)19-18-20-17-14-6-2-1-4-12(14)7-9-15(17)23-18/h1-11H,(H,19,20,21)/b10-8+
InChIKeyKQFXXADYUMPBPL-CSKARUKUSA-N
XLogP4.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(2-methoxyphenyl)prop-2-enamide
CID 2449449
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
(E)-N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 82342504
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 896951
(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26118277
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985
(E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 2664303
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 4131067
(E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 82194063
1-benzo[e][1,3]benzothiazol-2-yl-3-[(E)-benzylideneamino]urea
CID 25197655
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide (CID 7916610) is (E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1nc2c(ccc3ccccc32)s1.
What is the InChIKey of (E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is KQFXXADYUMPBPL-CSKARUKUSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-16(10-8-13-5-3-11-22-13)19-18-20-17-14-6-2-1-4-12(14)7-9-15(17)23-18/h1-11H,(H,19,20,21)/b10-8+.
What are the key properties of (E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide?
(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 320.37 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 7916610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).