2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol

C13H15NOS2 — CID 116965970

IUPAC2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
SMILESCOc1ccc(-c2csc(CCS)n2)cc1C
InChIInChI=1S/C13H15NOS2/c1-9-7-10(3-4-12(9)15-2)11-8-17-13(14-11)5-6-16/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeySVLNFGMEMKJXFU-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.60
Rot. Bonds4

About 2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol

2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol (PubChem CID 116965970) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol.

Molecular Properties

Compound Name2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
PubChem CID116965970
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
SMILESCOc1ccc(-c2csc(CCS)n2)cc1C
InChIInChI=1S/C13H15NOS2/c1-9-7-10(3-4-12(9)15-2)11-8-17-13(14-11)5-6-16/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeySVLNFGMEMKJXFU-UHFFFAOYSA-N
XLogP3.60
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
CID 116965969
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 82094050
[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965884
2-[4-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3468254
3-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propan-1-ol
CID 116965577
[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965938
3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 116866782
3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 116964998
2-[4-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3893486
[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970172
2-[4-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4030252
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol?
The IUPAC name of 2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol (CID 116965970) is 2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol.
What is the SMILES notation for 2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol?
The canonical SMILES for 2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol is COc1ccc(-c2csc(CCS)n2)cc1C.
What is the InChIKey of 2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol?
The InChIKey is SVLNFGMEMKJXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-9-7-10(3-4-12(9)15-2)11-8-17-13(14-11)5-6-16/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of 2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol?
2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol has a molecular weight of 265.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol is sourced from PubChem (CID 116965970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).