5-[(3-methylphenyl)methyl]-1,2-thiazole

C11H11NS — CID 57036871

IUPAC5-[(3-methylphenyl)methyl]-1,2-thiazole
SMILESCc1cccc(Cc2ccns2)c1
InChIInChI=1S/C11H11NS/c1-9-3-2-4-10(7-9)8-11-5-6-12-13-11/h2-7H,8H2,1H3
InChIKeyVTKWUBOWJIWNQW-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.04
Rot. Bonds2

About 5-[(3-methylphenyl)methyl]-1,2-thiazole

5-[(3-methylphenyl)methyl]-1,2-thiazole (PubChem CID 57036871) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methyl]-1,2-thiazole.

Molecular Properties

Compound Name5-[(3-methylphenyl)methyl]-1,2-thiazole
PubChem CID57036871
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name5-[(3-methylphenyl)methyl]-1,2-thiazole
SMILESCc1cccc(Cc2ccns2)c1
InChIInChI=1S/C11H11NS/c1-9-3-2-4-10(7-9)8-11-5-6-12-13-11/h2-7H,8H2,1H3
InChIKeyVTKWUBOWJIWNQW-UHFFFAOYSA-N
XLogP3.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methyl]-1,2-thiazole?
The IUPAC name of 5-[(3-methylphenyl)methyl]-1,2-thiazole (CID 57036871) is 5-[(3-methylphenyl)methyl]-1,2-thiazole.
What is the SMILES notation for 5-[(3-methylphenyl)methyl]-1,2-thiazole?
The canonical SMILES for 5-[(3-methylphenyl)methyl]-1,2-thiazole is Cc1cccc(Cc2ccns2)c1.
What is the InChIKey of 5-[(3-methylphenyl)methyl]-1,2-thiazole?
The InChIKey is VTKWUBOWJIWNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-9-3-2-4-10(7-9)8-11-5-6-12-13-11/h2-7H,8H2,1H3.
What are the key properties of 5-[(3-methylphenyl)methyl]-1,2-thiazole?
5-[(3-methylphenyl)methyl]-1,2-thiazole has a molecular weight of 189.28 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methyl]-1,2-thiazole is sourced from PubChem (CID 57036871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).