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

C9H17Cl2N3S — CID 46735539

IUPAC2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
SMILESCc1nc(CN2CCNCC2)cs1.Cl.Cl
InChIInChI=1S/C9H15N3S.2ClH/c1-8-11-9(7-13-8)6-12-4-2-10-3-5-12;;/h7,10H,2-6H2,1H3;2*1H
InChIKeyPBIBNOPOMJQDNT-UHFFFAOYSA-N
MW270.23 g/mol
LogP1.70
Rot. Bonds2

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

2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride (PubChem CID 46735539) has the molecular formula C9H17Cl2N3S and a molecular weight of 270.23 g/mol. Its IUPAC name is 2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
PubChem CID46735539
Molecular FormulaC9H17Cl2N3S
Molecular Weight270.23 g/mol
Exact Mass269.05
IUPAC Name2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
SMILESCc1nc(CN2CCNCC2)cs1.Cl.Cl
InChIInChI=1S/C9H15N3S.2ClH/c1-8-11-9(7-13-8)6-12-4-2-10-3-5-12;;/h7,10H,2-6H2,1H3;2*1H
InChIKeyPBIBNOPOMJQDNT-UHFFFAOYSA-N
XLogP1.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120983008
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
4-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride
CID 120661028
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 60963485
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 90485341
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
2-methyl-4-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 62673861
2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole
CID 95789668
(3-methylpyrrolidin-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
CID 119399484

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride?
The IUPAC name of 2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride (CID 46735539) is 2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride?
The canonical SMILES for 2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride is Cc1nc(CN2CCNCC2)cs1.Cl.Cl.
What is the InChIKey of 2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride?
The InChIKey is PBIBNOPOMJQDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S.2ClH/c1-8-11-9(7-13-8)6-12-4-2-10-3-5-12;;/h7,10H,2-6H2,1H3;2*1H.
What are the key properties of 2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride?
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride has a molecular weight of 270.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 46735539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).