4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride

C9H16ClN3S — CID 71778829

IUPAC4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride
SMILESCc1csc(CN2CCNCC2)n1.Cl
InChIInChI=1S/C9H15N3S.ClH/c1-8-7-13-9(11-8)6-12-4-2-10-3-5-12;/h7,10H,2-6H2,1H3;1H
InChIKeyRCYDMSLNLSTJKL-UHFFFAOYSA-N
MW233.77 g/mol
LogP1.28
Rot. Bonds2

About 4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride

4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride (PubChem CID 71778829) has the molecular formula C9H16ClN3S and a molecular weight of 233.77 g/mol. Its IUPAC name is 4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride
PubChem CID71778829
Molecular FormulaC9H16ClN3S
Molecular Weight233.77 g/mol
Exact Mass233.08
IUPAC Name4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride
SMILESCc1csc(CN2CCNCC2)n1.Cl
InChIInChI=1S/C9H15N3S.ClH/c1-8-7-13-9(11-8)6-12-4-2-10-3-5-12;/h7,10H,2-6H2,1H3;1H
InChIKeyRCYDMSLNLSTJKL-UHFFFAOYSA-N
XLogP1.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.77
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-((1,3-Thiazol-4-yl)methyl)piperazine
CID 28781798
(4-Methyl-1,3-thiazol-2-yl)methanamine
CID 4667189
Methyl((4-methyl-1,3-thiazol-2-yl)methyl)amine
CID 3928654
1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
[(2-Ethyl-1,3-thiazol-4-yl)methyl](methyl)amine
CID 16494968
Methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
CID 18939489
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane
CID 28781808
1-(4-Methyl-1,3-thiazol-2-yl)piperazine
CID 14479872
{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
Methyl(2-(4-methyl-1,3-thiazol-2-yl)ethyl)amine
CID 4407731
1-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4558721
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidine
CID 5019947

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride (CID 71778829) is 4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride is Cc1csc(CN2CCNCC2)n1.Cl.
What is the InChIKey of 4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride?
The InChIKey is RCYDMSLNLSTJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S.ClH/c1-8-7-13-9(11-8)6-12-4-2-10-3-5-12;/h7,10H,2-6H2,1H3;1H.
What are the key properties of 4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride?
4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride has a molecular weight of 233.77 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 71778829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).