(Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide

C20H14N2OS — CID 92898547

IUPAC(Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C\c1cccc2ccccc12)Nc1nc2ccccc2s1
InChIInChI=1S/C20H14N2OS/c23-19(22-20-21-17-10-3-4-11-18(17)24-20)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H,21,22,23)/b13-12-
InChIKeyAYHKMOODHHFHTD-SEYXRHQNSA-N
MW330.41 g/mol
LogP5.10
Rot. Bonds3

About (Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide

(Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 92898547) has the molecular formula C20H14N2OS and a molecular weight of 330.41 g/mol. Its IUPAC name is (Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID92898547
Molecular FormulaC20H14N2OS
Molecular Weight330.41 g/mol
Exact Mass330.08
IUPAC Name(Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C\c1cccc2ccccc12)Nc1nc2ccccc2s1
InChIInChI=1S/C20H14N2OS/c23-19(22-20-21-17-10-3-4-11-18(17)24-20)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H,21,22,23)/b13-12-
InChIKeyAYHKMOODHHFHTD-SEYXRHQNSA-N
XLogP5.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 746959
N-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enamide
CID 732578
(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide
CID 17455354
(E)-3-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)prop-2-enamide
CID 115342690
(E)-N-(1,3-benzothiazol-2-yl)-3-(6-chloro-3-pyridinyl)prop-2-enamide
CID 75390828
(E)-N-(1,3-benzothiazol-2-yl)-3-(4-tert-butylphenyl)prop-2-enamide
CID 6139563
(E)-N-(1,3-benzothiazol-2-yl)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 18863115
(E)-N-(1,3-benzothiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 960157
(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(2-methoxyphenyl)prop-2-enamide
CID 2449449
(E)-N-(1,3-benzothiazol-2-yl)-3-(4-butoxyphenyl)prop-2-enamide
CID 19175586
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
CID 3928998

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide (CID 92898547) is (Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide is O=C(/C=C\c1cccc2ccccc12)Nc1nc2ccccc2s1.
What is the InChIKey of (Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is AYHKMOODHHFHTD-SEYXRHQNSA-N. The full InChI is InChI=1S/C20H14N2OS/c23-19(22-20-21-17-10-3-4-11-18(17)24-20)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H,21,22,23)/b13-12-.
What are the key properties of (Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide?
(Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 330.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 92898547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).