2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole

C11H11NOS2 — CID 19995246

IUPAC2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole
SMILESCc1ncc(-c2ccc(S(C)=O)cc2)s1
InChIInChI=1S/C11H11NOS2/c1-8-12-7-11(14-8)9-3-5-10(6-4-9)15(2)13/h3-7H,1-2H3
InChIKeyFKGHYIFUTVQZFH-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.86
Rot. Bonds2

About 2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole

2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole (PubChem CID 19995246) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole
PubChem CID19995246
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole
SMILESCc1ncc(-c2ccc(S(C)=O)cc2)s1
InChIInChI=1S/C11H11NOS2/c1-8-12-7-11(14-8)9-3-5-10(6-4-9)15(2)13/h3-7H,1-2H3
InChIKeyFKGHYIFUTVQZFH-UHFFFAOYSA-N
XLogP2.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole (CID 19995246) is 2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole is Cc1ncc(-c2ccc(S(C)=O)cc2)s1.
What is the InChIKey of 2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole?
The InChIKey is FKGHYIFUTVQZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c1-8-12-7-11(14-8)9-3-5-10(6-4-9)15(2)13/h3-7H,1-2H3.
What are the key properties of 2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole?
2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole has a molecular weight of 237.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole is sourced from PubChem (CID 19995246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).