2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol

C11H11NOS — CID 136992886

IUPAC2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol
SMILESCc1csc(-c2ccc(O)c(C)c2)n1
InChIInChI=1S/C11H11NOS/c1-7-5-9(3-4-10(7)13)11-12-8(2)6-14-11/h3-6,13H,1-2H3
InChIKeyVGDBFSAVQFCBHD-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.13
Rot. Bonds1

About 2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol

2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol (PubChem CID 136992886) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol.

Molecular Properties

Compound Name2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol
PubChem CID136992886
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol
SMILESCc1csc(-c2ccc(O)c(C)c2)n1
InChIInChI=1S/C11H11NOS/c1-7-5-9(3-4-10(7)13)11-12-8(2)6-14-11/h3-6,13H,1-2H3
InChIKeyVGDBFSAVQFCBHD-UHFFFAOYSA-N
XLogP3.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol?
The IUPAC name of 2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol (CID 136992886) is 2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol.
What is the SMILES notation for 2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol?
The canonical SMILES for 2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol is Cc1csc(-c2ccc(O)c(C)c2)n1.
What is the InChIKey of 2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol?
The InChIKey is VGDBFSAVQFCBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-7-5-9(3-4-10(7)13)11-12-8(2)6-14-11/h3-6,13H,1-2H3.
What are the key properties of 2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol?
2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol has a molecular weight of 205.28 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol is sourced from PubChem (CID 136992886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).