1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

C17H16N2OS — CID 116560381

IUPAC1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(CC(=O)c2cc3ccccc3cc2N)sc1C
InChIInChI=1S/C17H16N2OS/c1-10-11(2)21-17(19-10)9-16(20)14-7-12-5-3-4-6-13(12)8-15(14)18/h3-8H,9,18H2,1-2H3
InChIKeyQUQHLNZGPNAGKC-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.92
Rot. Bonds3

About 1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (PubChem CID 116560381) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
PubChem CID116560381
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(CC(=O)c2cc3ccccc3cc2N)sc1C
InChIInChI=1S/C17H16N2OS/c1-10-11(2)21-17(19-10)9-16(20)14-7-12-5-3-4-6-13(12)8-15(14)18/h3-8H,9,18H2,1-2H3
InChIKeyQUQHLNZGPNAGKC-UHFFFAOYSA-N
XLogP3.92
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.92
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-(1,3-thiazol-2-yl)ethanone
CID 116560365
1-(4-amino-2-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 112736182
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 115789426
1-(4-amino-3-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116582034
1-(3-aminonaphthalen-2-yl)-2-phenylethanone
CID 116560313
1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 107101754
1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone
CID 116560408
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxy-5-methylphenyl)ethanone
CID 115789523
1-(2-chlorofuran-3-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 106691198
1-[2-(aminomethyl)-4-pyridinyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116601831

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (CID 116560381) is 1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is Cc1nc(CC(=O)c2cc3ccccc3cc2N)sc1C.
What is the InChIKey of 1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is QUQHLNZGPNAGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-10-11(2)21-17(19-10)9-16(20)14-7-12-5-3-4-6-13(12)8-15(14)18/h3-8H,9,18H2,1-2H3.
What are the key properties of 1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 296.40 g/mol, XLogP of 3.92, 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-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116560381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).