(E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide

C20H18N2OS — CID 7919680

IUPAC(E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2s1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H18N2OS/c23-19(12-13-20-22-17-9-3-4-11-18(17)24-20)21-16-10-5-7-14-6-1-2-8-15(14)16/h1-4,6,8-9,11-13,16H,5,7,10H2,(H,21,23)/b13-12+/t16-/m0/s1
InChIKeyZPYOVINNNZKAPL-DBTPVHCXSA-N
MW334.44 g/mol
LogP4.50
Rot. Bonds3

About (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide

(E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide (PubChem CID 7919680) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
PubChem CID7919680
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name(E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2s1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H18N2OS/c23-19(12-13-20-22-17-9-3-4-11-18(17)24-20)21-16-10-5-7-14-6-1-2-8-15(14)16/h1-4,6,8-9,11-13,16H,5,7,10H2,(H,21,23)/b13-12+/t16-/m0/s1
InChIKeyZPYOVINNNZKAPL-DBTPVHCXSA-N
XLogP4.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-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)-3-(1,3-benzothiazol-2-yl)-N-cyclohexylprop-2-enamide
CID 7732680
(E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 8893313
(E)-3-(1,3-benzothiazol-2-yl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 6211925
(E)-3-(1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7478852
1-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 51687317
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40625039
(E)-3-(1,3-benzothiazol-2-yl)-N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]prop-2-enamide
CID 95775249
(E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919830
(E)-3-(3-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 42904423
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9391023
(E)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 30400382
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 7895848

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide (CID 7919680) is (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide is O=C(/C=C/c1nc2ccccc2s1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The InChIKey is ZPYOVINNNZKAPL-DBTPVHCXSA-N. The full InChI is InChI=1S/C20H18N2OS/c23-19(12-13-20-22-17-9-3-4-11-18(17)24-20)21-16-10-5-7-14-6-1-2-8-15(14)16/h1-4,6,8-9,11-13,16H,5,7,10H2,(H,21,23)/b13-12+/t16-/m0/s1.
What are the key properties of (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
(E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide has a molecular weight of 334.44 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide is sourced from PubChem (CID 7919680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).