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

C19H18N2O2S — CID 71962615

IUPAC3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide
SMILESCc1ccc(-c2nc(CCNC(=O)C=Cc3ccco3)cs2)cc1
InChIInChI=1S/C19H18N2O2S/c1-14-4-6-15(7-5-14)19-21-16(13-24-19)10-11-20-18(22)9-8-17-3-2-12-23-17/h2-9,12-13H,10-11H2,1H3,(H,20,22)
InChIKeyQWAMSCNYLNFVRC-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.08
Rot. Bonds6

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

3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide (PubChem CID 71962615) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide
PubChem CID71962615
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide
SMILESCc1ccc(-c2nc(CCNC(=O)C=Cc3ccco3)cs2)cc1
InChIInChI=1S/C19H18N2O2S/c1-14-4-6-15(7-5-14)19-21-16(13-24-19)10-11-20-18(22)9-8-17-3-2-12-23-17/h2-9,12-13H,10-11H2,1H3,(H,20,22)
InChIKeyQWAMSCNYLNFVRC-UHFFFAOYSA-N
XLogP4.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.08
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-[3-(furan-2-yl)prop-2-enoylamino]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 55615934
(E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide
CID 71789674
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 963759
3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3663869
trans-(1R,2R)-2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97323969
N'-(4-methylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287534
(E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide
CID 155801051
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide (CID 71962615) is 3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide is Cc1ccc(-c2nc(CCNC(=O)C=Cc3ccco3)cs2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide?
The InChIKey is QWAMSCNYLNFVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-4-6-15(7-5-14)19-21-16(13-24-19)10-11-20-18(22)9-8-17-3-2-12-23-17/h2-9,12-13H,10-11H2,1H3,(H,20,22).
What are the key properties of 3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide?
3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide has a molecular weight of 338.43 g/mol, XLogP of 4.08, 6 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-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 71962615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).