5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole

C9H15NS — CID 54031587

IUPAC5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole
SMILESCCC(C)(C)c1ncc(C)s1
InChIInChI=1S/C9H15NS/c1-5-9(3,4)8-10-6-7(2)11-8/h6H,5H2,1-4H3
InChIKeyLFZDFXJACKBUCC-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.14
Rot. Bonds2

About 5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole

5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole (PubChem CID 54031587) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole
PubChem CID54031587
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole
SMILESCCC(C)(C)c1ncc(C)s1
InChIInChI=1S/C9H15NS/c1-5-9(3,4)8-10-6-7(2)11-8/h6H,5H2,1-4H3
InChIKeyLFZDFXJACKBUCC-UHFFFAOYSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole (CID 54031587) is 5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole is CCC(C)(C)c1ncc(C)s1.
What is the InChIKey of 5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole?
The InChIKey is LFZDFXJACKBUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-5-9(3,4)8-10-6-7(2)11-8/h6H,5H2,1-4H3.
What are the key properties of 5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole?
5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylbutan-2-yl)-1,3-thiazole is sourced from PubChem (CID 54031587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).