(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide

C22H20N2O2S — CID 84559178

IUPAC(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(OCc2ccccc2)c1)Nc1nc2c(s1)CCC2
InChIInChI=1S/C22H20N2O2S/c25-21(24-22-23-19-10-5-11-20(19)27-22)13-12-16-8-4-9-18(14-16)26-15-17-6-2-1-3-7-17/h1-4,6-9,12-14H,5,10-11,15H2,(H,23,24,25)/b13-12+
InChIKeyFTFZBWWEKJBHOV-OUKQBFOZSA-N
MW376.48 g/mol
LogP4.86
Rot. Bonds6

About (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide

(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 84559178) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
PubChem CID84559178
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(OCc2ccccc2)c1)Nc1nc2c(s1)CCC2
InChIInChI=1S/C22H20N2O2S/c25-21(24-22-23-19-10-5-11-20(19)27-22)13-12-16-8-4-9-18(14-16)26-15-17-6-2-1-3-7-17/h1-4,6-9,12-14H,5,10-11,15H2,(H,23,24,25)/b13-12+
InChIKeyFTFZBWWEKJBHOV-OUKQBFOZSA-N
XLogP4.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.86
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-[4-[(4-methylphenyl)methoxy]phenyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 5077526
(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 84559893
(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 6299348
3-(3,4-diethoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 3568930
(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 47119070
N-[2-[3-(3-phenylmethoxyphenyl)prop-2-enoylamino]phenyl]pyrrolidine-1-carboxamide
CID 55736389
3-(4-ethoxy-3-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 3350195
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 3342143
N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 72688755
methyl 4-[(E)-3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)prop-1-enyl]benzoate
CID 8749309
(E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 35053594
3-(2-chlorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 897168

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide (CID 84559178) is (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide is O=C(/C=C/c1cccc(OCc2ccccc2)c1)Nc1nc2c(s1)CCC2.
What is the InChIKey of (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is FTFZBWWEKJBHOV-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H20N2O2S/c25-21(24-22-23-19-10-5-11-20(19)27-22)13-12-16-8-4-9-18(14-16)26-15-17-6-2-1-3-7-17/h1-4,6-9,12-14H,5,10-11,15H2,(H,23,24,25)/b13-12+.
What are the key properties of (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide?
(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 376.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 84559178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).