2-benzyl-4-methyl-1,3-thiazole

C11H11NS — CID 605121

IUPAC2-benzyl-4-methyl-1,3-thiazole
SMILESCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C11H11NS/c1-9-8-13-11(12-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyYOSCSFCHAKAHDF-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.04
Rot. Bonds2

About 2-benzyl-4-methyl-1,3-thiazole

2-benzyl-4-methyl-1,3-thiazole (PubChem CID 605121) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-benzyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-benzyl-4-methyl-1,3-thiazole
PubChem CID605121
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name2-benzyl-4-methyl-1,3-thiazole
SMILESCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C11H11NS/c1-9-8-13-11(12-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyYOSCSFCHAKAHDF-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 2-benzyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-benzyl-4-methyl-1,3-thiazole (CID 605121) is 2-benzyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-benzyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-benzyl-4-methyl-1,3-thiazole is Cc1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-4-methyl-1,3-thiazole?
The InChIKey is YOSCSFCHAKAHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-9-8-13-11(12-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-benzyl-4-methyl-1,3-thiazole?
2-benzyl-4-methyl-1,3-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 2-benzyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 605121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).