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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Related Compounds

(5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1268887
5-Fluoro-3-(4-oxo-2-thioxo-thiazolidin-5-ylidene)-1,3-dihydro-indol-2-one
CID 1240986
7-methyl-3-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1225114
(5E)-5-(2-hydroxy-3H-indol-3-ylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 1269517
7-ethyl-3-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1202309
(3Z)-3-(4-hydroxy-2-oxo-1,3-thiazol-5(2H)-ylidene)-5-methyl-1,3-dihydro-2H-indol-2-one
CID 1383950
(3Z)-1,3-Dihydro-5-methyl-3-(4-oxo-2-thioxo-5-thiazolidinylidene)-2H-indol-2-one
CID 1381463
(5Z)-5-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1345055
5-(5,7-Dimethyl-2-oxobenzo[d]azolin-3-ylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 1358200
5-ethyl-3-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1360365
5-iodo-3-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1381471
3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]-6-methoxyquinolin-2-one
CID 1384709

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).