(E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide

C16H14N2O2S — CID 2701436

IUPAC(E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc2nc(NC(=O)/C=C/c3ccc(C)o3)sc2c1
InChIInChI=1S/C16H14N2O2S/c1-10-3-7-13-14(9-10)21-16(17-13)18-15(19)8-6-12-5-4-11(2)20-12/h3-9H,1-2H3,(H,17,18,19)/b8-6+
InChIKeyBCZQVABYWKNNIV-SOFGYWHQSA-N
MW298.37 g/mol
LogP4.16
Rot. Bonds3

About (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 2701436) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID2701436
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name(E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc2nc(NC(=O)/C=C/c3ccc(C)o3)sc2c1
InChIInChI=1S/C16H14N2O2S/c1-10-3-7-13-14(9-10)21-16(17-13)18-15(19)8-6-12-5-4-11(2)20-12/h3-9H,1-2H3,(H,17,18,19)/b8-6+
InChIKeyBCZQVABYWKNNIV-SOFGYWHQSA-N
XLogP4.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.16
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-(6-ethyl-1,3-benzothiazol-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide
CID 3276839
(2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide
CID 47143968
5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 887647
4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide
CID 72689787
(E)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2676132
(E)-3-(3-iodophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 6056994
3-(3-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 4123336
(E)-N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(5-iodofuran-2-yl)prop-2-enamide
CID 60557676
(E)-3-(3-bromophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 7919941
(E)-3-(5-bromofuran-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)prop-2-enamide
CID 2123806
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide
CID 17114348
(E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17098475

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 2701436) is (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc2nc(NC(=O)/C=C/c3ccc(C)o3)sc2c1.
What is the InChIKey of (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is BCZQVABYWKNNIV-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-3-7-13-14(9-10)21-16(17-13)18-15(19)8-6-12-5-4-11(2)20-12/h3-9H,1-2H3,(H,17,18,19)/b8-6+.
What are the key properties of (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 298.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 2701436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).