4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione

C16H20N2O2S2 — CID 135398859

IUPAC4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione
SMILESCCCCCn1c(O)c(/C=N/c2ccccc2OC)sc1=S
InChIInChI=1S/C16H20N2O2S2/c1-3-4-7-10-18-15(19)14(22-16(18)21)11-17-12-8-5-6-9-13(12)20-2/h5-6,8-9,11,19H,3-4,7,10H2,1-2H3/b17-11+
InChIKeyYJMJSFDMVOLCOR-GZTJUZNOSA-N
MW336.48 g/mol
LogP4.93
Rot. Bonds7

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

4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione (PubChem CID 135398859) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione
PubChem CID135398859
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione
SMILESCCCCCn1c(O)c(/C=N/c2ccccc2OC)sc1=S
InChIInChI=1S/C16H20N2O2S2/c1-3-4-7-10-18-15(19)14(22-16(18)21)11-17-12-8-5-6-9-13(12)20-2/h5-6,8-9,11,19H,3-4,7,10H2,1-2H3/b17-11+
InChIKeyYJMJSFDMVOLCOR-GZTJUZNOSA-N
XLogP4.93
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione (CID 135398859) is 4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione is CCCCCn1c(O)c(/C=N/c2ccccc2OC)sc1=S.
What is the InChIKey of 4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione?
The InChIKey is YJMJSFDMVOLCOR-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-3-4-7-10-18-15(19)14(22-16(18)21)11-17-12-8-5-6-9-13(12)20-2/h5-6,8-9,11,19H,3-4,7,10H2,1-2H3/b17-11+.
What are the key properties of 4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione?
4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione has a molecular weight of 336.48 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione is sourced from PubChem (CID 135398859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).