2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone

C14H22N2O2S2 — CID 71981034

IUPAC2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nc(C)c(CS(=O)CC(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C14H22N2O2S2/c1-10-4-6-16(7-5-10)14(17)9-20(18)8-13-11(2)15-12(3)19-13/h10H,4-9H2,1-3H3
InChIKeyXABVPOCCGYFNCL-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.27
Rot. Bonds4

About 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone

2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 71981034) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID71981034
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nc(C)c(CS(=O)CC(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C14H22N2O2S2/c1-10-4-6-16(7-5-10)14(17)9-20(18)8-13-11(2)15-12(3)19-13/h10H,4-9H2,1-3H3
InChIKeyXABVPOCCGYFNCL-UHFFFAOYSA-N
XLogP2.27
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone (CID 71981034) is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone is Cc1nc(C)c(CS(=O)CC(=O)N2CCC(C)CC2)s1.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is XABVPOCCGYFNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-10-4-6-16(7-5-10)14(17)9-20(18)8-13-11(2)15-12(3)19-13/h10H,4-9H2,1-3H3.
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 314.48 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 71981034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).