4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one

C12H19NOS — CID 82919513

IUPAC4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
SMILESCCC(CC)CC(=O)Cc1nc(C)cs1
InChIInChI=1S/C12H19NOS/c1-4-10(5-2)6-11(14)7-12-13-9(3)8-15-12/h8,10H,4-7H2,1-3H3
InChIKeyORNAKTJKJFYURQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.39
Rot. Bonds6

About 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one

4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one (PubChem CID 82919513) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one.

Molecular Properties

Compound Name4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
PubChem CID82919513
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
SMILESCCC(CC)CC(=O)Cc1nc(C)cs1
InChIInChI=1S/C12H19NOS/c1-4-10(5-2)6-11(14)7-12-13-9(3)8-15-12/h8,10H,4-7H2,1-3H3
InChIKeyORNAKTJKJFYURQ-UHFFFAOYSA-N
XLogP3.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 131842856
CID 131842856
4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
CID 116553119
1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one
CID 79567146
3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 116552853
1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795128
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62794962
3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 103447216
4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one
CID 116558009
5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 116555711
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one?
The IUPAC name of 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one (CID 82919513) is 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one.
What is the SMILES notation for 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one?
The canonical SMILES for 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one is CCC(CC)CC(=O)Cc1nc(C)cs1.
What is the InChIKey of 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one?
The InChIKey is ORNAKTJKJFYURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-10(5-2)6-11(14)7-12-13-9(3)8-15-12/h8,10H,4-7H2,1-3H3.
What are the key properties of 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one?
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one has a molecular weight of 225.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one is sourced from PubChem (CID 82919513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).