1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone

C12H18N2OS2 — CID 71800754

IUPAC1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CSc2nc(C)cs2)CC1
InChIInChI=1S/C12H18N2OS2/c1-9-7-16-12(13-9)17-8-11-3-5-14(6-4-11)10(2)15/h7,11H,3-6,8H2,1-2H3
InChIKeyWRKCNOYTYDZBJN-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.80
Rot. Bonds3

About 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone

1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone (PubChem CID 71800754) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone
PubChem CID71800754
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC Name1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CSc2nc(C)cs2)CC1
InChIInChI=1S/C12H18N2OS2/c1-9-7-16-12(13-9)17-8-11-3-5-14(6-4-11)10(2)15/h7,11H,3-6,8H2,1-2H3
InChIKeyWRKCNOYTYDZBJN-UHFFFAOYSA-N
XLogP2.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone (CID 71800754) is 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CSc2nc(C)cs2)CC1.
What is the InChIKey of 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone?
The InChIKey is WRKCNOYTYDZBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-9-7-16-12(13-9)17-8-11-3-5-14(6-4-11)10(2)15/h7,11H,3-6,8H2,1-2H3.
What are the key properties of 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone?
1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone has a molecular weight of 270.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71800754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).