(E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

C29H22N2O2S — CID 108756853

IUPAC(E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C29H22N2O2S/c32-28(17-12-21-10-15-26(16-11-21)33-19-22-6-2-1-3-7-22)31-29-30-27(20-34-29)25-14-13-23-8-4-5-9-24(23)18-25/h1-18,20H,19H2,(H,30,31,32)/b17-12+
InChIKeyFOSVIZFGFKBQDS-SFQUDFHCSA-N
MW462.57 g/mol
LogP7.19
Rot. Bonds7

About (E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

(E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 108756853) has the molecular formula C29H22N2O2S and a molecular weight of 462.57 g/mol. Its IUPAC name is (E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID108756853
Molecular FormulaC29H22N2O2S
Molecular Weight462.57 g/mol
Exact Mass462.14
IUPAC Name(E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C29H22N2O2S/c32-28(17-12-21-10-15-26(16-11-21)33-19-22-6-2-1-3-7-22)31-29-30-27(20-34-29)25-14-13-23-8-4-5-9-24(23)18-25/h1-18,20H,19H2,(H,30,31,32)/b17-12+
InChIKeyFOSVIZFGFKBQDS-SFQUDFHCSA-N
XLogP7.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 57.19
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-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 4643848
(E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6020814
(E)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylsulfanylphenyl)methoxy]phenyl]prop-2-enamide
CID 87722661
3-(4-butoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4138208
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 108756821
(E)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 19228487
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4184713
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3973055
3-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4564383
3-(3-methoxy-4-phenylmethoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4287739
(Z)-3-(4-prop-2-enoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 87722103

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (CID 108756853) is (E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of (E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is FOSVIZFGFKBQDS-SFQUDFHCSA-N. The full InChI is InChI=1S/C29H22N2O2S/c32-28(17-12-21-10-15-26(16-11-21)33-19-22-6-2-1-3-7-22)31-29-30-27(20-34-29)25-14-13-23-8-4-5-9-24(23)18-25/h1-18,20H,19H2,(H,30,31,32)/b17-12+.
What are the key properties of (E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
(E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 462.57 g/mol, XLogP of 7.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 108756853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).