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

C9H15NOS — CID 116782788

IUPAC2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole
SMILESCCC(C)(OC)c1ncc(C)s1
InChIInChI=1S/C9H15NOS/c1-5-9(3,11-4)8-10-6-7(2)12-8/h6H,5H2,1-4H3
InChIKeyTZTYNEFCCXKBNG-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.72
Rot. Bonds3

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

2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole (PubChem CID 116782788) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole
PubChem CID116782788
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole
SMILESCCC(C)(OC)c1ncc(C)s1
InChIInChI=1S/C9H15NOS/c1-5-9(3,11-4)8-10-6-7(2)12-8/h6H,5H2,1-4H3
InChIKeyTZTYNEFCCXKBNG-UHFFFAOYSA-N
XLogP2.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxybutan-2-yl)-1,3-thiazole-5-carbaldehyde
CID 116773975
2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole
CID 116782789
methyl 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetate
CID 75504790
N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777926
N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine
CID 115920915
2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775077
3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine
CID 115920923
2-[(2S)-2-methoxybutan-2-yl]pyrazine
CID 97049922
2-methoxy-5-methyl-1,3-thiazole
CID 12743061
N-[[4-ethyl-2-(2-methoxybutan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116778107
4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline
CID 116773982
N-[[2-(2-methoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364619

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole (CID 116782788) is 2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole is CCC(C)(OC)c1ncc(C)s1.
What is the InChIKey of 2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole?
The InChIKey is TZTYNEFCCXKBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-5-9(3,11-4)8-10-6-7(2)12-8/h6H,5H2,1-4H3.
What are the key properties of 2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole?
2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole has a molecular weight of 185.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 116782788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).