4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole

C11H18N2S — CID 3021495

IUPAC4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole
SMILESCc1ncsc1CCN1CCCCC1
InChIInChI=1S/C11H18N2S/c1-10-11(14-9-12-10)5-8-13-6-3-2-4-7-13/h9H,2-8H2,1H3
InChIKeyGVWBTYLNIQTXSV-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.48
Rot. Bonds3

About 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole

4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole (PubChem CID 3021495) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole
PubChem CID3021495
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole
SMILESCc1ncsc1CCN1CCCCC1
InChIInChI=1S/C11H18N2S/c1-10-11(14-9-12-10)5-8-13-6-3-2-4-7-13/h9H,2-8H2,1H3
InChIKeyGVWBTYLNIQTXSV-UHFFFAOYSA-N
XLogP2.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole (CID 3021495) is 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole is Cc1ncsc1CCN1CCCCC1.
What is the InChIKey of 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole?
The InChIKey is GVWBTYLNIQTXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-10-11(14-9-12-10)5-8-13-6-3-2-4-7-13/h9H,2-8H2,1H3.
What are the key properties of 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole?
4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole has a molecular weight of 210.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole is sourced from PubChem (CID 3021495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).