1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone

C12H19NOS — CID 82429689

IUPAC1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone
SMILESCCc1nc(C(CC)CC)sc1C(C)=O
InChIInChI=1S/C12H19NOS/c1-5-9(6-2)12-13-10(7-3)11(15-12)8(4)14/h9H,5-7H2,1-4H3
InChIKeyLKFLZMLBDIXJIT-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.81
Rot. Bonds5

About 1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone

1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 82429689) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone
PubChem CID82429689
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone
SMILESCCc1nc(C(CC)CC)sc1C(C)=O
InChIInChI=1S/C12H19NOS/c1-5-9(6-2)12-13-10(7-3)11(15-12)8(4)14/h9H,5-7H2,1-4H3
InChIKeyLKFLZMLBDIXJIT-UHFFFAOYSA-N
XLogP3.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone
CID 82439111
1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone
CID 13485346
2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432460
4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide
CID 82426688
4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile
CID 82429659
1-[2-(4-aminobutyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 167544356
3-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82432457
2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride
CID 142626123
1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 82430136
1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 82428234
1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 82430291
1-[2-(azepan-1-ylmethyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 82430866

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone (CID 82429689) is 1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone is CCc1nc(C(CC)CC)sc1C(C)=O.
What is the InChIKey of 1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is LKFLZMLBDIXJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-5-9(6-2)12-13-10(7-3)11(15-12)8(4)14/h9H,5-7H2,1-4H3.
What are the key properties of 1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone?
1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 225.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 82429689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).