(1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one

C15H11NO2S2 — CID 135962756

IUPAC(1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
SMILESCn1c(O)c(/C=C2\C(=O)C=Cc3ccccc32)sc1=S
InChIInChI=1S/C15H11NO2S2/c1-16-14(18)13(20-15(16)19)8-11-10-5-3-2-4-9(10)6-7-12(11)17/h2-8,18H,1H3/b11-8-
InChIKeyFBCRTMVYZGQCJG-FLIBITNWSA-N
MW301.39 g/mol
LogP3.66
Rot. Bonds1

About (1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one

(1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one (PubChem CID 135962756) has the molecular formula C15H11NO2S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one.

Molecular Properties

Compound Name(1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
PubChem CID135962756
Molecular FormulaC15H11NO2S2
Molecular Weight301.39 g/mol
Exact Mass301.02
IUPAC Name(1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
SMILESCn1c(O)c(/C=C2\C(=O)C=Cc3ccccc32)sc1=S
InChIInChI=1S/C15H11NO2S2/c1-16-14(18)13(20-15(16)19)8-11-10-5-3-2-4-9(10)6-7-12(11)17/h2-8,18H,1H3/b11-8-
InChIKeyFBCRTMVYZGQCJG-FLIBITNWSA-N
XLogP3.66
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one with MolForge

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Related Compounds

1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 1228552
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one
CID 137047347
4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one
CID 135968452
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 3096049
(1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 135996792
3-[4-hydroxy-5-[3-(2-oxonaphthalen-1-ylidene)prop-1-enyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 136611209
1-[[4-hydroxy-2-(3-methylanilino)-1,3-thiazol-5-yl]methylidene]naphthalen-2-one
CID 1251052
1-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 814567
(1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 135481408
4-hydroxy-3-methyl-5-[(E)-(2-piperidin-1-ium-1-ylidenequinolin-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135836609
(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one
CID 59427156
4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione
CID 3404736

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one?
The IUPAC name of (1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one (CID 135962756) is (1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one.
What is the SMILES notation for (1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one?
The canonical SMILES for (1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one is Cn1c(O)c(/C=C2\C(=O)C=Cc3ccccc32)sc1=S.
What is the InChIKey of (1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one?
The InChIKey is FBCRTMVYZGQCJG-FLIBITNWSA-N. The full InChI is InChI=1S/C15H11NO2S2/c1-16-14(18)13(20-15(16)19)8-11-10-5-3-2-4-9(10)6-7-12(11)17/h2-8,18H,1H3/b11-8-.
What are the key properties of (1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one?
(1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one is sourced from PubChem (CID 135962756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).