(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide

C15H12N2O2S — CID 6214246

IUPAC(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
SMILESCc1nc2ccc(NC(=O)/C=C/c3ccco3)cc2s1
InChIInChI=1S/C15H12N2O2S/c1-10-16-13-6-4-11(9-14(13)20-10)17-15(18)7-5-12-3-2-8-19-12/h2-9H,1H3,(H,17,18)/b7-5+
InChIKeyAARZBJSBECPYDE-FNORWQNLSA-N
MW284.34 g/mol
LogP3.85
Rot. Bonds3

About (E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide (PubChem CID 6214246) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
PubChem CID6214246
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
SMILESCc1nc2ccc(NC(=O)/C=C/c3ccco3)cc2s1
InChIInChI=1S/C15H12N2O2S/c1-10-16-13-6-4-11(9-14(13)20-10)17-15(18)7-5-12-3-2-8-19-12/h2-9H,1H3,(H,17,18)/b7-5+
InChIKeyAARZBJSBECPYDE-FNORWQNLSA-N
XLogP3.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.85
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

N-[(Z)-1-(furan-2-yl)-3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942202
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 896951
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 876030
(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide
CID 24623803
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
CID 6248311
(E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 2664303
3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide
CID 3761035
(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 802779
(E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 782263
(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
CID 2298805
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide
CID 171138075

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide (CID 6214246) is (E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide is Cc1nc2ccc(NC(=O)/C=C/c3ccco3)cc2s1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide?
The InChIKey is AARZBJSBECPYDE-FNORWQNLSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10-16-13-6-4-11(9-14(13)20-10)17-15(18)7-5-12-3-2-8-19-12/h2-9H,1H3,(H,17,18)/b7-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide has a molecular weight of 284.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide is sourced from PubChem (CID 6214246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).