(1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one

C14H10N2O2S — CID 135996792

IUPAC(1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
SMILESNc1nc(O)c(/C=C2/C(=O)C=Cc3ccccc32)s1
InChIInChI=1S/C14H10N2O2S/c15-14-16-13(18)12(19-14)7-10-9-4-2-1-3-8(9)5-6-11(10)17/h1-7,18H,(H2,15,16)/b10-7+
InChIKeyDGDIYLHWDZJWDK-JXMROGBWSA-N
MW270.31 g/mol
LogP2.57
Rot. Bonds1

About (1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one

(1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one (PubChem CID 135996792) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is (1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one.

Molecular Properties

Compound Name(1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
PubChem CID135996792
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name(1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
SMILESNc1nc(O)c(/C=C2/C(=O)C=Cc3ccccc32)s1
InChIInChI=1S/C14H10N2O2S/c15-14-16-13(18)12(19-14)7-10-9-4-2-1-3-8(9)5-6-11(10)17/h1-7,18H,(H2,15,16)/b10-7+
InChIKeyDGDIYLHWDZJWDK-JXMROGBWSA-N
XLogP2.57
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one?
The IUPAC name of (1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one (CID 135996792) is (1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one.
What is the SMILES notation for (1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one?
The canonical SMILES for (1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one is Nc1nc(O)c(/C=C2/C(=O)C=Cc3ccccc32)s1.
What is the InChIKey of (1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one?
The InChIKey is DGDIYLHWDZJWDK-JXMROGBWSA-N. The full InChI is InChI=1S/C14H10N2O2S/c15-14-16-13(18)12(19-14)7-10-9-4-2-1-3-8(9)5-6-11(10)17/h1-7,18H,(H2,15,16)/b10-7+.
What are the key properties of (1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one?
(1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one has a molecular weight of 270.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one is sourced from PubChem (CID 135996792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).