1-(4-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

C12H18N2OS2 — CID 3894186

IUPAC1-(4-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCc1csc(SCC(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C12H18N2OS2/c1-9-3-5-14(6-4-9)11(15)8-17-12-13-10(2)7-16-12/h7,9H,3-6,8H2,1-2H3
InChIKeyCKLPKEIBSYZGRR-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.80
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

1-(4-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (PubChem CID 3894186) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
PubChem CID3894186
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCc1csc(SCC(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C12H18N2OS2/c1-9-3-5-14(6-4-9)11(15)8-17-12-13-10(2)7-16-12/h7,9H,3-6,8H2,1-2H3
InChIKeyCKLPKEIBSYZGRR-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-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (CID 3894186) is 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is Cc1csc(SCC(=O)N2CCC(C)CC2)n1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The InChIKey is CKLPKEIBSYZGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-9-3-5-14(6-4-9)11(15)8-17-12-13-10(2)7-16-12/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]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-methylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 3894186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).