(Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide

C28H20N2OS — CID 108756812

IUPAC(Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20N2OS/c31-27(25(22-12-5-2-6-13-22)17-20-9-3-1-4-10-20)30-28-29-26(19-32-28)24-16-15-21-11-7-8-14-23(21)18-24/h1-19H,(H,29,30,31)/b25-17-
InChIKeyQOESGQZGCUNEFZ-UQQQWYQISA-N
MW432.55 g/mol
LogP7.14
Rot. Bonds5

About (Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide

(Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide (PubChem CID 108756812) has the molecular formula C28H20N2OS and a molecular weight of 432.55 g/mol. Its IUPAC name is (Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide
PubChem CID108756812
Molecular FormulaC28H20N2OS
Molecular Weight432.55 g/mol
Exact Mass432.13
IUPAC Name(Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20N2OS/c31-27(25(22-12-5-2-6-13-22)17-20-9-3-1-4-10-20)30-28-29-26(19-32-28)24-16-15-21-11-7-8-14-23(21)18-24/h1-19H,(H,29,30,31)/b25-17-
InChIKeyQOESGQZGCUNEFZ-UQQQWYQISA-N
XLogP7.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide
CID 19195372
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
(E)-3-(3,4-dimethoxyphenyl)-2-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 108769745
2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 102534467
N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide
CID 17100090
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea
CID 108781601
(Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide
CID 108770304

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide (CID 108756812) is (Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide?
The InChIKey is QOESGQZGCUNEFZ-UQQQWYQISA-N. The full InChI is InChI=1S/C28H20N2OS/c31-27(25(22-12-5-2-6-13-22)17-20-9-3-1-4-10-20)30-28-29-26(19-32-28)24-16-15-21-11-7-8-14-23(21)18-24/h1-19H,(H,29,30,31)/b25-17-.
What are the key properties of (Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide?
(Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide has a molecular weight of 432.55 g/mol, XLogP of 7.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 108756812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).