4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole

C13H22N2S — CID 70641697

IUPAC4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
SMILESCCCCc1csc(C2CCN(C)CC2)n1
InChIInChI=1S/C13H22N2S/c1-3-4-5-12-10-16-13(14-12)11-6-8-15(2)9-7-11/h10-11H,3-9H2,1-2H3
InChIKeyWMMBZMAGUIYRTC-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.29
Rot. Bonds4

About 4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole

4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole (PubChem CID 70641697) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
PubChem CID70641697
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
SMILESCCCCc1csc(C2CCN(C)CC2)n1
InChIInChI=1S/C13H22N2S/c1-3-4-5-12-10-16-13(14-12)11-6-8-15(2)9-7-11/h10-11H,3-9H2,1-2H3
InChIKeyWMMBZMAGUIYRTC-UHFFFAOYSA-N
XLogP3.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The IUPAC name of 4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole (CID 70641697) is 4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The canonical SMILES for 4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole is CCCCc1csc(C2CCN(C)CC2)n1.
What is the InChIKey of 4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The InChIKey is WMMBZMAGUIYRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-4-5-12-10-16-13(14-12)11-6-8-15(2)9-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole has a molecular weight of 238.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 70641697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).