5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride

C8H17Cl2N3S — CID 54595408

IUPAC5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride
SMILESCC1CN=C(N2CCNCC2)S1.Cl.Cl
InChIInChI=1S/C8H15N3S.2ClH/c1-7-6-10-8(12-7)11-4-2-9-3-5-11;;/h7,9H,2-6H2,1H3;2*1H
InChIKeyVUBLIAMSBNDCHQ-UHFFFAOYSA-N
MW258.22 g/mol
LogP1.23
Rot. Bonds

About 5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride

5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride (PubChem CID 54595408) has the molecular formula C8H17Cl2N3S and a molecular weight of 258.22 g/mol. Its IUPAC name is 5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride
PubChem CID54595408
Molecular FormulaC8H17Cl2N3S
Molecular Weight258.22 g/mol
Exact Mass257.05
IUPAC Name5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride
SMILESCC1CN=C(N2CCNCC2)S1.Cl.Cl
InChIInChI=1S/C8H15N3S.2ClH/c1-7-6-10-8(12-7)11-4-2-9-3-5-11;;/h7,9H,2-6H2,1H3;2*1H
InChIKeyVUBLIAMSBNDCHQ-UHFFFAOYSA-N
XLogP1.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,5-Dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazine
CID 818281
Ethanamine, 2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N,N-dimethyl-, dihydrochloride
CID 27736
2-Imidazoline, 2-((2-(diethylamino)ethyl)thio)-, dihydrochloride
CID 28297
1,2-Ethanediamine, N,N'-bis(4,5-dihydro-5-methyl-2-thiazolyl)-N-(2-((4,5-dihydro-5-methyl-2-thiazolyl)amino)ethyl)-, trihydrochloride, trihydrate
CID 3086770
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine
CID 28298
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl-trimethylazanium
CID 28901
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl-triethylazanium
CID 36843
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine;dihydrochloride
CID 13018877
2-[(4,5-Dihydro-1H-imidazol-2-yl)sulfanyl]-N,N-dimethylethan-1-amine--hydrogen chloride (1/2)
CID 13018878
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine
CID 13018882
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride
CID 13018883
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-4-methylpiperazine;dihydrochloride
CID 20213257

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride?
The IUPAC name of 5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride (CID 54595408) is 5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride?
The canonical SMILES for 5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride is CC1CN=C(N2CCNCC2)S1.Cl.Cl.
What is the InChIKey of 5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride?
The InChIKey is VUBLIAMSBNDCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S.2ClH/c1-7-6-10-8(12-7)11-4-2-9-3-5-11;;/h7,9H,2-6H2,1H3;2*1H.
What are the key properties of 5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride?
5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride has a molecular weight of 258.22 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 54595408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).