1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one

C15H23NOS2 — CID 79820106

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one
SMILESCC(C)(C)c1csc(CC(=O)CSC2CCCC2)n1
InChIInChI=1S/C15H23NOS2/c1-15(2,3)13-10-19-14(16-13)8-11(17)9-18-12-6-4-5-7-12/h10,12H,4-9H2,1-3H3
InChIKeySHNZDTJRJAJWCD-UHFFFAOYSA-N
MW297.49 g/mol
LogP4.23
Rot. Bonds5

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one (PubChem CID 79820106) has the molecular formula C15H23NOS2 and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one
PubChem CID79820106
Molecular FormulaC15H23NOS2
Molecular Weight297.49 g/mol
Exact Mass297.12
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one
SMILESCC(C)(C)c1csc(CC(=O)CSC2CCCC2)n1
InChIInChI=1S/C15H23NOS2/c1-15(2,3)13-10-19-14(16-13)8-11(17)9-18-12-6-4-5-7-12/h10,12H,4-9H2,1-3H3
InChIKeySHNZDTJRJAJWCD-UHFFFAOYSA-N
XLogP4.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylpentan-2-one
CID 79820417
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylsulfanylbutan-2-one
CID 105118448
4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750
1-[2-(aminomethyl)cyclohexyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 116584612
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one
CID 115787037
1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-one
CID 79954595
1-(4-tert-butyl-1,3-thiazol-2-yl)decan-2-one
CID 115786938
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone
CID 103448116
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone
CID 116547629
1-(4-tert-butylphenyl)-3-cyclopentylsulfanylpropan-2-one
CID 65138954
1-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxypentan-2-one
CID 79820419
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(thiolan-3-yl)ethanone
CID 105118311

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one (CID 79820106) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one is CC(C)(C)c1csc(CC(=O)CSC2CCCC2)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one?
The InChIKey is SHNZDTJRJAJWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS2/c1-15(2,3)13-10-19-14(16-13)8-11(17)9-18-12-6-4-5-7-12/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one has a molecular weight of 297.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one is sourced from PubChem (CID 79820106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).