1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone

C17H15N3O2S — CID 135454355

IUPAC1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N/N=C\c2c(O)ccc3ccccc23)nc1C
InChIInChI=1S/C17H15N3O2S/c1-10-16(11(2)21)23-17(19-10)20-18-9-14-13-6-4-3-5-12(13)7-8-15(14)22/h3-9,22H,1-2H3,(H,19,20)/b18-9-
InChIKeyAJXHZVSBQZQVJG-NVMNQCDNSA-N
MW325.39 g/mol
LogP3.96
Rot. Bonds4

About 1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 135454355) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID135454355
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N/N=C\c2c(O)ccc3ccccc23)nc1C
InChIInChI=1S/C17H15N3O2S/c1-10-16(11(2)21)23-17(19-10)20-18-9-14-13-6-4-3-5-12(13)7-8-15(14)22/h3-9,22H,1-2H3,(H,19,20)/b18-9-
InChIKeyAJXHZVSBQZQVJG-NVMNQCDNSA-N
XLogP3.96
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 135454355) is 1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N/N=C\c2c(O)ccc3ccccc23)nc1C.
What is the InChIKey of 1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is AJXHZVSBQZQVJG-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-10-16(11(2)21)23-17(19-10)20-18-9-14-13-6-4-3-5-12(13)7-8-15(14)22/h3-9,22H,1-2H3,(H,19,20)/b18-9-.
What are the key properties of 1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 325.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 135454355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).