4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione

C11H10N2O2S2 — CID 3774507

IUPAC4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione
SMILESCn1c(O)c(/C=N/c2cccc(O)c2)sc1=S
InChIInChI=1S/C11H10N2O2S2/c1-13-10(15)9(17-11(13)16)6-12-7-3-2-4-8(14)5-7/h2-6,14-15H,1H3/b12-6+
InChIKeyDMHRQWMSGQITBK-WUXMJOGZSA-N
MW266.35 g/mol
LogP2.98
Rot. Bonds2

About 4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione

4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione (PubChem CID 3774507) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione
PubChem CID3774507
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC Name4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione
SMILESCn1c(O)c(/C=N/c2cccc(O)c2)sc1=S
InChIInChI=1S/C11H10N2O2S2/c1-13-10(15)9(17-11(13)16)6-12-7-3-2-4-8(14)5-7/h2-6,14-15H,1H3/b12-6+
InChIKeyDMHRQWMSGQITBK-WUXMJOGZSA-N
XLogP2.98
TPSA57.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione (CID 3774507) is 4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione is Cn1c(O)c(/C=N/c2cccc(O)c2)sc1=S.
What is the InChIKey of 4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione?
The InChIKey is DMHRQWMSGQITBK-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c1-13-10(15)9(17-11(13)16)6-12-7-3-2-4-8(14)5-7/h2-6,14-15H,1H3/b12-6+.
What are the key properties of 4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione?
4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione has a molecular weight of 266.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione is sourced from PubChem (CID 3774507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).