1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone

C10H15NO2S — CID 116774185

IUPAC1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCCC(C)(OC)c1nc(C(C)=O)cs1
InChIInChI=1S/C10H15NO2S/c1-5-10(3,13-4)9-11-8(6-14-9)7(2)12/h6H,5H2,1-4H3
InChIKeyREEKQUOOQUGHTM-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.62
Rot. Bonds4

About 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone

1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 116774185) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID116774185
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCCC(C)(OC)c1nc(C(C)=O)cs1
InChIInChI=1S/C10H15NO2S/c1-5-10(3,13-4)9-11-8(6-14-9)7(2)12/h6H,5H2,1-4H3
InChIKeyREEKQUOOQUGHTM-UHFFFAOYSA-N
XLogP2.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 116774202
1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol
CID 116775255
2-(3-methoxypentan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 116744386
1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone
CID 64770332
4-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]aniline
CID 116773982
2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 102929431
1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone
CID 116778429
2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775077
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 121264029
1-[2-[bis(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543850
5-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 116744515

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone (CID 116774185) is 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone is CCC(C)(OC)c1nc(C(C)=O)cs1.
What is the InChIKey of 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is REEKQUOOQUGHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-5-10(3,13-4)9-11-8(6-14-9)7(2)12/h6H,5H2,1-4H3.
What are the key properties of 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 213.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 116774185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).