1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane

C15H25NOS — CID 143933431

IUPAC1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane
SMILESCC.CC(=O)c1sc(C)nc1CCC1CCCC1
InChIInChI=1S/C13H19NOS.C2H6/c1-9(15)13-12(14-10(2)16-13)8-7-11-5-3-4-6-11;1-2/h11H,3-8H2,1-2H3;1-2H3
InChIKeyYDOHAWVWFFXUBM-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.80
Rot. Bonds4

About 1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane

1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane (PubChem CID 143933431) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane
PubChem CID143933431
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane
SMILESCC.CC(=O)c1sc(C)nc1CCC1CCCC1
InChIInChI=1S/C13H19NOS.C2H6/c1-9(15)13-12(14-10(2)16-13)8-7-11-5-3-4-6-11;1-2/h11H,3-8H2,1-2H3;1-2H3
InChIKeyYDOHAWVWFFXUBM-UHFFFAOYSA-N
XLogP4.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane?
The IUPAC name of 1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane (CID 143933431) is 1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane.
What is the SMILES notation for 1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane?
The canonical SMILES for 1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane is CC.CC(=O)c1sc(C)nc1CCC1CCCC1.
What is the InChIKey of 1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane?
The InChIKey is YDOHAWVWFFXUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS.C2H6/c1-9(15)13-12(14-10(2)16-13)8-7-11-5-3-4-6-11;1-2/h11H,3-8H2,1-2H3;1-2H3.
What are the key properties of 1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane?
1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane has a molecular weight of 267.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane is sourced from PubChem (CID 143933431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).