3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one

C14H10N2O2S2 — CID 1327582

IUPAC3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one
SMILESCc1ccc2c(c1)=NC(=O)C(=Cc1sc(=S)[nH]c1O)C=2
InChIInChI=1S/C14H10N2O2S2/c1-7-2-3-8-5-9(12(17)15-10(8)4-7)6-11-13(18)16-14(19)20-11/h2-6,18H,1H3,(H,16,19)
InChIKeyAZAMZSVIILTSEQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.84
Rot. Bonds1

About 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one

3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one (PubChem CID 1327582) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one.

Molecular Properties

Compound Name3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one
PubChem CID1327582
Molecular FormulaC14H10N2O2S2
Molecular Weight302.38 g/mol
Exact Mass302.02
IUPAC Name3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one
SMILESCc1ccc2c(c1)=NC(=O)C(=Cc1sc(=S)[nH]c1O)C=2
InChIInChI=1S/C14H10N2O2S2/c1-7-2-3-8-5-9(12(17)15-10(8)4-7)6-11-13(18)16-14(19)20-11/h2-6,18H,1H3,(H,16,19)
InChIKeyAZAMZSVIILTSEQ-UHFFFAOYSA-N
XLogP1.84
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one?
The IUPAC name of 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one (CID 1327582) is 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one.
What is the SMILES notation for 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one?
The canonical SMILES for 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one is Cc1ccc2c(c1)=NC(=O)C(=Cc1sc(=S)[nH]c1O)C=2.
What is the InChIKey of 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one?
The InChIKey is AZAMZSVIILTSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S2/c1-7-2-3-8-5-9(12(17)15-10(8)4-7)6-11-13(18)16-14(19)20-11/h2-6,18H,1H3,(H,16,19).
What are the key properties of 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one?
3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-7-methylquinolin-2-one is sourced from PubChem (CID 1327582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).