1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one

C22H15NOS — CID 67031419

IUPAC1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C22H15NOS/c24-21(14-13-16-7-2-1-3-8-16)22-23-20(15-25-22)19-12-6-10-17-9-4-5-11-18(17)19/h1-15H
InChIKeySKILHUBKVCDHIU-UHFFFAOYSA-N
MW341.44 g/mol
LogP5.86
Rot. Bonds4

About 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one

1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one (PubChem CID 67031419) has the molecular formula C22H15NOS and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one
PubChem CID67031419
Molecular FormulaC22H15NOS
Molecular Weight341.44 g/mol
Exact Mass341.09
IUPAC Name1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C22H15NOS/c24-21(14-13-16-7-2-1-3-8-16)22-23-20(15-25-22)19-12-6-10-17-9-4-5-11-18(17)19/h1-15H
InChIKeySKILHUBKVCDHIU-UHFFFAOYSA-N
XLogP5.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.44
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one 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

2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid
CID 5228414
sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate
CID 75414423
(4-naphthalen-1-yl-1,3-thiazol-2-yl)-(3-phenylprop-2-enyl)diazene
CID 91152797
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-(4-phenacyloxyphenyl)prop-2-enenitrile
CID 2953831
1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde
CID 175310199
N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide
CID 21240087
(E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one
CID 6221715
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine
CID 61337854
2-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamoyl]phenyl]benzoic acid
CID 3228346
3-(3-acetylanilino)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 3728220
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide
CID 4038932
[4-[2-cyano-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenyl] acetate
CID 3772890

Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one (CID 67031419) is 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)c1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one?
The InChIKey is SKILHUBKVCDHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NOS/c24-21(14-13-16-7-2-1-3-8-16)22-23-20(15-25-22)19-12-6-10-17-9-4-5-11-18(17)19/h1-15H.
What are the key properties of 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one?
1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one has a molecular weight of 341.44 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 67031419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).