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

C14H10N2O2S2 — CID 1228552

IUPAC1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
SMILESNn1c(O)c(C=C2C(=O)C=Cc3ccccc32)sc1=S
InChIInChI=1S/C14H10N2O2S2/c15-16-13(18)12(20-14(16)19)7-10-9-4-2-1-3-8(9)5-6-11(10)17/h1-7,18H,15H2
InChIKeyIOOGUICVWFYHEU-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.83
Rot. Bonds1

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

1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one (PubChem CID 1228552) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one.

Molecular Properties

Compound Name1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
PubChem CID1228552
Molecular FormulaC14H10N2O2S2
Molecular Weight302.38 g/mol
Exact Mass302.02
IUPAC Name1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
SMILESNn1c(O)c(C=C2C(=O)C=Cc3ccccc32)sc1=S
InChIInChI=1S/C14H10N2O2S2/c15-16-13(18)12(20-14(16)19)7-10-9-4-2-1-3-8(9)5-6-11(10)17/h1-7,18H,15H2
InChIKeyIOOGUICVWFYHEU-UHFFFAOYSA-N
XLogP2.83
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 135962756
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one
CID 137047347
(1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 135996792
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 3096049
3-[4-hydroxy-5-[3-(2-oxonaphthalen-1-ylidene)prop-1-enyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 136611209
4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one
CID 135968452
1-[[4-hydroxy-2-(3-methylanilino)-1,3-thiazol-5-yl]methylidene]naphthalen-2-one
CID 1251052
(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one
CID 59427156
1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one
CID 173281078
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
(1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one
CID 6610966

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one?
The IUPAC name of 1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one (CID 1228552) is 1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one.
What is the SMILES notation for 1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one?
The canonical SMILES for 1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one is Nn1c(O)c(C=C2C(=O)C=Cc3ccccc32)sc1=S.
What is the InChIKey of 1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one?
The InChIKey is IOOGUICVWFYHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S2/c15-16-13(18)12(20-14(16)19)7-10-9-4-2-1-3-8(9)5-6-11(10)17/h1-7,18H,15H2.
What are the key properties of 1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one?
1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one has a molecular weight of 302.38 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one is sourced from PubChem (CID 1228552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).