4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole

C12H20N2S — CID 169110247

IUPAC4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
SMILESCCc1nc(C2CCN(C)CC2)sc1C
InChIInChI=1S/C12H20N2S/c1-4-11-9(2)15-12(13-11)10-5-7-14(3)8-6-10/h10H,4-8H2,1-3H3
InChIKeyCQVCTZJEDZXKDY-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.82
Rot. Bonds2

About 4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole

4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole (PubChem CID 169110247) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
PubChem CID169110247
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
SMILESCCc1nc(C2CCN(C)CC2)sc1C
InChIInChI=1S/C12H20N2S/c1-4-11-9(2)15-12(13-11)10-5-7-14(3)8-6-10/h10H,4-8H2,1-3H3
InChIKeyCQVCTZJEDZXKDY-UHFFFAOYSA-N
XLogP2.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The IUPAC name of 4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole (CID 169110247) is 4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole is CCc1nc(C2CCN(C)CC2)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The InChIKey is CQVCTZJEDZXKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-4-11-9(2)15-12(13-11)10-5-7-14(3)8-6-10/h10H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole has a molecular weight of 224.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 169110247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).