2-(2,6-dimethylphenyl)-1,3-thiazole

C11H11NS — CID 66980172

IUPAC2-(2,6-dimethylphenyl)-1,3-thiazole
SMILESCc1cccc(C)c1-c1nccs1
InChIInChI=1S/C11H11NS/c1-8-4-3-5-9(2)10(8)11-12-6-7-13-11/h3-7H,1-2H3
InChIKeyAZBRVPNEFTYJKT-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.43
Rot. Bonds1

About 2-(2,6-dimethylphenyl)-1,3-thiazole

2-(2,6-dimethylphenyl)-1,3-thiazole (PubChem CID 66980172) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1,3-thiazole
PubChem CID66980172
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name2-(2,6-dimethylphenyl)-1,3-thiazole
SMILESCc1cccc(C)c1-c1nccs1
InChIInChI=1S/C11H11NS/c1-8-4-3-5-9(2)10(8)11-12-6-7-13-11/h3-7H,1-2H3
InChIKeyAZBRVPNEFTYJKT-UHFFFAOYSA-N
XLogP3.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1,3-thiazole?
The IUPAC name of 2-(2,6-dimethylphenyl)-1,3-thiazole (CID 66980172) is 2-(2,6-dimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1,3-thiazole is Cc1cccc(C)c1-c1nccs1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1,3-thiazole?
The InChIKey is AZBRVPNEFTYJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-8-4-3-5-9(2)10(8)11-12-6-7-13-11/h3-7H,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1,3-thiazole?
2-(2,6-dimethylphenyl)-1,3-thiazole has a molecular weight of 189.28 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 66980172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).