[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol

C13H15NOS2 — CID 116965938

IUPAC[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol
SMILESCOc1c(C)cc(-c2csc(CS)n2)cc1C
InChIInChI=1S/C13H15NOS2/c1-8-4-10(5-9(2)13(8)15-3)11-7-17-12(6-16)14-11/h4-5,7,16H,6H2,1-3H3
InChIKeyVSRSINABYRMNIJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.87
Rot. Bonds3

About [4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol

[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol (PubChem CID 116965938) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is [4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol.

Molecular Properties

Compound Name[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol
PubChem CID116965938
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol
SMILESCOc1c(C)cc(-c2csc(CS)n2)cc1C
InChIInChI=1S/C13H15NOS2/c1-8-4-10(5-9(2)13(8)15-3)11-7-17-12(6-16)14-11/h4-5,7,16H,6H2,1-3H3
InChIKeyVSRSINABYRMNIJ-UHFFFAOYSA-N
XLogP3.87
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968883
[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965884
2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
CID 116965970
2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline
CID 82276097
2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116970317
[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965875
[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965891
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915
2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole
CID 116970319
[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 82383295
[4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazol-2-yl]methanol
CID 116867475
2-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
CID 116965969

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol?
The IUPAC name of [4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol (CID 116965938) is [4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol.
What is the SMILES notation for [4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol?
The canonical SMILES for [4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol is COc1c(C)cc(-c2csc(CS)n2)cc1C.
What is the InChIKey of [4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol?
The InChIKey is VSRSINABYRMNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-8-4-10(5-9(2)13(8)15-3)11-7-17-12(6-16)14-11/h4-5,7,16H,6H2,1-3H3.
What are the key properties of [4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol?
[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol has a molecular weight of 265.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol is sourced from PubChem (CID 116965938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).