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

C11H19ClN2S — CID 3021494

IUPAC4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole;hydrochloride
SMILESCc1ncsc1CCN1CCCCC1.Cl
InChIInChI=1S/C11H18N2S.ClH/c1-10-11(14-9-12-10)5-8-13-6-3-2-4-7-13;/h9H,2-8H2,1H3;1H
InChIKeySTBHCWCGEMNKDJ-UHFFFAOYSA-N
MW246.81 g/mol
LogP2.90
Rot. Bonds3

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

4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole;hydrochloride (PubChem CID 3021494) has the molecular formula C11H19ClN2S and a molecular weight of 246.81 g/mol. Its IUPAC name is 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole;hydrochloride
PubChem CID3021494
Molecular FormulaC11H19ClN2S
Molecular Weight246.81 g/mol
Exact Mass246.10
IUPAC Name4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole;hydrochloride
SMILESCc1ncsc1CCN1CCCCC1.Cl
InChIInChI=1S/C11H18N2S.ClH/c1-10-11(14-9-12-10)5-8-13-6-3-2-4-7-13;/h9H,2-8H2,1H3;1H
InChIKeySTBHCWCGEMNKDJ-UHFFFAOYSA-N
XLogP2.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.81
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-4-methylthiazole
CID 40380
2-(4-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 205404
5-Ethyl-3,4-dimethyl-1,3-thiazol-3-ium iodide
CID 71400698
5-(2-Azidoethyl)-4-methyl-1,3-thiazole
CID 54670922
Thiazole, 5-(2-aminoethyl)-4-methyl-, hydrochloride
CID 205403
5-(2-Fluoroethyl)-4-methylthiazole
CID 20323417
Thiazole, 5-(2-(diethylamino)ethyl)-4-methyl-, dihydrochloride
CID 205405
Thiazole, 5-(2-((3-(diethylamino)propyl)amino)ethyl)-4-methyl-, trihydrochloride
CID 205407
Piperazine, 1-methyl-4-(2-(4-methyl-5-thiazolyl)ethyl)-, trihydrochloride
CID 205409
Morpholine, 4-(2-(4-methyl-5-thiazolyl)ethyl)-, dihydrochloride
CID 215987
Piperazine, 1-methyl-4-(2-(4-methyl-2-(methylthio)-5-thiazolyl)ethyl)-, dihydrochloride
CID 3021513
Piperazine, 1-(2-(2-(ethylthio)-4-methyl-5-thiazolyl)ethyl)-4-methyl-, trihydrochloride
CID 3021515

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole;hydrochloride (CID 3021494) is 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole;hydrochloride is Cc1ncsc1CCN1CCCCC1.Cl.
What is the InChIKey of 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole;hydrochloride?
The InChIKey is STBHCWCGEMNKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S.ClH/c1-10-11(14-9-12-10)5-8-13-6-3-2-4-7-13;/h9H,2-8H2,1H3;1H.
What are the key properties of 4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole;hydrochloride?
4-methyl-5-(2-piperidin-1-ylethyl)-1,3-thiazole;hydrochloride has a molecular weight of 246.81 g/mol, XLogP of 2.90, 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;hydrochloride is sourced from PubChem (CID 3021494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).