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

C11H17NO2S — CID 116774202

IUPAC1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCCOC(C)(CC)c1nc(C(C)=O)cs1
InChIInChI=1S/C11H17NO2S/c1-5-11(4,14-6-2)10-12-9(7-15-10)8(3)13/h7H,5-6H2,1-4H3
InChIKeyBPZVATHSSNOQCX-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.01
Rot. Bonds5

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

1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 116774202) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID116774202
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCCOC(C)(CC)c1nc(C(C)=O)cs1
InChIInChI=1S/C11H17NO2S/c1-5-11(4,14-6-2)10-12-9(7-15-10)8(3)13/h7H,5-6H2,1-4H3
InChIKeyBPZVATHSSNOQCX-UHFFFAOYSA-N
XLogP3.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 116774185
5-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 116744515
2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 116779537
1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone
CID 64770332
2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]-3-methylbutan-1-amine
CID 102929481
1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]pentan-2-amine
CID 102929467
N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline
CID 102929482
2-(3-methoxypentan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 116744386
2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775070
2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359602
2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 116744488
3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine
CID 102929501

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone (CID 116774202) is 1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone is CCOC(C)(CC)c1nc(C(C)=O)cs1.
What is the InChIKey of 1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is BPZVATHSSNOQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-5-11(4,14-6-2)10-12-9(7-15-10)8(3)13/h7H,5-6H2,1-4H3.
What are the key properties of 1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 227.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 116774202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).