(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide

C24H20N2O2S — CID 7873277

IUPAC(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide
SMILESCOc1ccc(/C=C(/CC(=O)Nc2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C24H20N2O2S/c1-28-20-13-11-17(12-14-20)15-18(16-23(27)25-19-7-3-2-4-8-19)24-26-21-9-5-6-10-22(21)29-24/h2-15H,16H2,1H3,(H,25,27)/b18-15-
InChIKeyHHHUVZZGCKJAIC-SDXDJHTJSA-N
MW400.50 g/mol
LogP5.87
Rot. Bonds6

About (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide

(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide (PubChem CID 7873277) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide.

Molecular Properties

Compound Name(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide
PubChem CID7873277
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide
SMILESCOc1ccc(/C=C(/CC(=O)Nc2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C24H20N2O2S/c1-28-20-13-11-17(12-14-20)15-18(16-23(27)25-19-7-3-2-4-8-19)24-26-21-9-5-6-10-22(21)29-24/h2-15H,16H2,1H3,(H,25,27)/b18-15-
InChIKeyHHHUVZZGCKJAIC-SDXDJHTJSA-N
XLogP5.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methoxyphenyl)benzothiazole
CID 95753
Jnj-26993135
CID 11245596
2-(2-Methoxyphenyl)benzothiazole
CID 95764
1-(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)pyrrolidin-2-one
CID 11189372
N-{1-[4-(Benzothiazol-2-yloxy)-benzyl]-piperidin-4-yl}-2-hydroxy-acetamide
CID 11200344
1-(1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)pyrrolidin-2-one
CID 11223519
1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidine-4-carboxamide
CID 11291973
2-{4-[2-(Piperidin-1-yl)ethyl]phenoxy}-1,3-benzothiazole
CID 11427736
2-[4-(Piperidin-1-ylmethyl)phenoxy]-1,3-benzothiazole
CID 11472798
1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}piperidine-4-carboxamide
CID 24901584
N-(1-{2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)acetamide
CID 24901588
[(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)carbamoyl]methyl acetate
CID 24901589

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide?
The IUPAC name of (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide (CID 7873277) is (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide.
What is the SMILES notation for (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide?
The canonical SMILES for (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide is COc1ccc(/C=C(/CC(=O)Nc2ccccc2)c2nc3ccccc3s2)cc1.
What is the InChIKey of (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide?
The InChIKey is HHHUVZZGCKJAIC-SDXDJHTJSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-28-20-13-11-17(12-14-20)15-18(16-23(27)25-19-7-3-2-4-8-19)24-26-21-9-5-6-10-22(21)29-24/h2-15H,16H2,1H3,(H,25,27)/b18-15-.
What are the key properties of (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide?
(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide has a molecular weight of 400.50 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide is sourced from PubChem (CID 7873277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).