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

C16H18N2O2S2 — CID 135398845

IUPAC3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione
SMILESCOc1ccccc1/N=C/c1sc(=S)n(C2CCCC2)c1O
InChIInChI=1S/C16H18N2O2S2/c1-20-13-9-5-4-8-12(13)17-10-14-15(19)18(16(21)22-14)11-6-2-3-7-11/h4-5,8-11,19H,2-3,6-7H2,1H3/b17-10+
InChIKeyPLKCJFHTVBCWBQ-LICLKQGHSA-N
MW334.47 g/mol
LogP4.86
Rot. Bonds4

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

3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione (PubChem CID 135398845) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione
PubChem CID135398845
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC Name3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione
SMILESCOc1ccccc1/N=C/c1sc(=S)n(C2CCCC2)c1O
InChIInChI=1S/C16H18N2O2S2/c1-20-13-9-5-4-8-12(13)17-10-14-15(19)18(16(21)22-14)11-6-2-3-7-11/h4-5,8-11,19H,2-3,6-7H2,1H3/b17-10+
InChIKeyPLKCJFHTVBCWBQ-LICLKQGHSA-N
XLogP4.86
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
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 3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione?
The IUPAC name of 3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione (CID 135398845) is 3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione?
The canonical SMILES for 3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione is COc1ccccc1/N=C/c1sc(=S)n(C2CCCC2)c1O.
What is the InChIKey of 3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione?
The InChIKey is PLKCJFHTVBCWBQ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-20-13-9-5-4-8-12(13)17-10-14-15(19)18(16(21)22-14)11-6-2-3-7-11/h4-5,8-11,19H,2-3,6-7H2,1H3/b17-10+.
What are the key properties of 3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione?
3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione has a molecular weight of 334.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 135398845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).