2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid

C11H17NO2S — CID 82155435

IUPAC2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid
SMILESCCC(C)(C)c1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C11H17NO2S/c1-5-11(3,4)10-12-7(2)8(15-10)6-9(13)14/h5-6H2,1-4H3,(H,13,14)
InChIKeyJWOIETCFVVEWSY-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.77
Rot. Bonds4

About 2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid

2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 82155435) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid
PubChem CID82155435
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid
SMILESCCC(C)(C)c1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C11H17NO2S/c1-5-11(3,4)10-12-7(2)8(15-10)6-9(13)14/h5-6H2,1-4H3,(H,13,14)
InChIKeyJWOIETCFVVEWSY-UHFFFAOYSA-N
XLogP2.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid (CID 82155435) is 2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid is CCC(C)(C)c1nc(C)c(CC(=O)O)s1.
What is the InChIKey of 2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is JWOIETCFVVEWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-5-11(3,4)10-12-7(2)8(15-10)6-9(13)14/h5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid?
2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 227.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(2-methylbutan-2-yl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82155435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).