1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone

C15H12N2OS — CID 116560365

IUPAC1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESNc1cc2ccccc2cc1C(=O)Cc1nccs1
InChIInChI=1S/C15H12N2OS/c16-13-8-11-4-2-1-3-10(11)7-12(13)14(18)9-15-17-5-6-19-15/h1-8H,9,16H2
InChIKeyKTXGFFLKQGPYEE-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.30
Rot. Bonds3

About 1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone

1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 116560365) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID116560365
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESNc1cc2ccccc2cc1C(=O)Cc1nccs1
InChIInChI=1S/C15H12N2OS/c16-13-8-11-4-2-1-3-10(11)7-12(13)14(18)9-15-17-5-6-19-15/h1-8H,9,16H2
InChIKeyKTXGFFLKQGPYEE-UHFFFAOYSA-N
XLogP3.30
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116560381
1-(3-aminonaphthalen-2-yl)-2-phenylethanone
CID 116560313
1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116613745
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
CID 173018716
1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone
CID 116560408
1-(3-aminonaphthalen-2-yl)but-3-en-1-one
CID 116560321
1-(3-aminonaphthalen-2-yl)-2-(3-bromophenyl)ethanone
CID 116560426
1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 112731600
1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116609810
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide
CID 173067344
1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786506
1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786541

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone (CID 116560365) is 1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone is Nc1cc2ccccc2cc1C(=O)Cc1nccs1.
What is the InChIKey of 1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is KTXGFFLKQGPYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c16-13-8-11-4-2-1-3-10(11)7-12(13)14(18)9-15-17-5-6-19-15/h1-8H,9,16H2.
What are the key properties of 1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone?
1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 268.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116560365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).