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

C18H18N2O2S — CID 2664303

IUPAC(E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
SMILESCCCCc1ccc2nc(NC(=O)/C=C/c3ccco3)sc2c1
InChIInChI=1S/C18H18N2O2S/c1-2-3-5-13-7-9-15-16(12-13)23-18(19-15)20-17(21)10-8-14-6-4-11-22-14/h4,6-12H,2-3,5H2,1H3,(H,19,20,21)/b10-8+
InChIKeyOLFXNSUUTMBMJB-CSKARUKUSA-N
MW326.42 g/mol
LogP4.88
Rot. Bonds6

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

(E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 2664303) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
PubChem CID2664303
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
SMILESCCCCc1ccc2nc(NC(=O)/C=C/c3ccco3)sc2c1
InChIInChI=1S/C18H18N2O2S/c1-2-3-5-13-7-9-15-16(12-13)23-18(19-15)20-17(21)10-8-14-6-4-11-22-14/h4,6-12H,2-3,5H2,1H3,(H,19,20,21)/b10-8+
InChIKeyOLFXNSUUTMBMJB-CSKARUKUSA-N
XLogP4.88
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.88
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-chloro-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 896951
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 38999972
(E)-3-(5-bromo-2-methoxyphenyl)-N-(6-butyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 6287988
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide
CID 3276839
(E)-N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 953431
N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 5192681
(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 6214246
(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide
CID 7916610
N-[(4-butylphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 2904238
2-bromo-N-(6-butyl-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 17244883
N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbenzamide
CID 5175386
N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 5166243

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide (CID 2664303) is (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide is CCCCc1ccc2nc(NC(=O)/C=C/c3ccco3)sc2c1.
What is the InChIKey of (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is OLFXNSUUTMBMJB-CSKARUKUSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-2-3-5-13-7-9-15-16(12-13)23-18(19-15)20-17(21)10-8-14-6-4-11-22-14/h4,6-12H,2-3,5H2,1H3,(H,19,20,21)/b10-8+.
What are the key properties of (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 326.42 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2664303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).