3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

C17H14N2O2S — CID 3663869

IUPAC3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCc1ccc(-c2csc(NC(=O)C=Cc3ccco3)n2)cc1
InChIInChI=1S/C17H14N2O2S/c1-12-4-6-13(7-5-12)15-11-22-17(18-15)19-16(20)9-8-14-3-2-10-21-14/h2-11H,1H3,(H,18,19,20)
InChIKeyQOPXGALTSNZQLN-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.36
Rot. Bonds4

About 3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 3663869) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID3663869
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCc1ccc(-c2csc(NC(=O)C=Cc3ccco3)n2)cc1
InChIInChI=1S/C17H14N2O2S/c1-12-4-6-13(7-5-12)15-11-22-17(18-15)19-16(20)9-8-14-3-2-10-21-14/h2-11H,1H3,(H,18,19,20)
InChIKeyQOPXGALTSNZQLN-UHFFFAOYSA-N
XLogP4.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.36
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

3-(furan-2-yl)-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
CID 1299086
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 5059460
3-(furan-2-yl)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
CID 2921138
3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4500888
(E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2468061
methyl 2-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 43623022
(E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 2120614
3-(4-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2790166
(E)-3-(3-bromophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 7948149
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6185293
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 4259251
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 38999849

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 3663869) is 3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is Cc1ccc(-c2csc(NC(=O)C=Cc3ccco3)n2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is QOPXGALTSNZQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-12-4-6-13(7-5-12)15-11-22-17(18-15)19-16(20)9-8-14-3-2-10-21-14/h2-11H,1H3,(H,18,19,20).
What are the key properties of 3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 310.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 3663869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).