3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole

C10H18N2S — CID 174834888

IUPAC3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole
SMILESC1=CN(CCN2CCCCC2)CS1
InChIInChI=1S/C10H18N2S/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12/h8-9H,1-7,10H2
InChIKeyIKYJPFZZFCBBCU-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.95
Rot. Bonds3

About 3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole

3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole (PubChem CID 174834888) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole
PubChem CID174834888
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole
SMILESC1=CN(CCN2CCCCC2)CS1
InChIInChI=1S/C10H18N2S/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12/h8-9H,1-7,10H2
InChIKeyIKYJPFZZFCBBCU-UHFFFAOYSA-N
XLogP1.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole?
The IUPAC name of 3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole (CID 174834888) is 3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole?
The canonical SMILES for 3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole is C1=CN(CCN2CCCCC2)CS1.
What is the InChIKey of 3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole?
The InChIKey is IKYJPFZZFCBBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12/h8-9H,1-7,10H2.
What are the key properties of 3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole?
3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole has a molecular weight of 198.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethyl)-2H-1,3-thiazole is sourced from PubChem (CID 174834888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).