4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride

C12H23Cl2N3S2 — CID 3021513

IUPAC4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride
SMILESCSc1nc(C)c(CCN2CCN(C)CC2)s1.Cl.Cl
InChIInChI=1S/C12H21N3S2.2ClH/c1-10-11(17-12(13-10)16-3)4-5-15-8-6-14(2)7-9-15;;/h4-9H2,1-3H3;2*1H
InChIKeyIDSGYNWWPBIMCO-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.81
Rot. Bonds4

About 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride

4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride (PubChem CID 3021513) has the molecular formula C12H23Cl2N3S2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride
PubChem CID3021513
Molecular FormulaC12H23Cl2N3S2
Molecular Weight344.38 g/mol
Exact Mass343.07
IUPAC Name4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride
SMILESCSc1nc(C)c(CCN2CCN(C)CC2)s1.Cl.Cl
InChIInChI=1S/C12H21N3S2.2ClH/c1-10-11(17-12(13-10)16-3)4-5-15-8-6-14(2)7-9-15;;/h4-9H2,1-3H3;2*1H
InChIKeyIDSGYNWWPBIMCO-UHFFFAOYSA-N
XLogP2.81
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride?
The IUPAC name of 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride (CID 3021513) is 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride is CSc1nc(C)c(CCN2CCN(C)CC2)s1.Cl.Cl.
What is the InChIKey of 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride?
The InChIKey is IDSGYNWWPBIMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2.2ClH/c1-10-11(17-12(13-10)16-3)4-5-15-8-6-14(2)7-9-15;;/h4-9H2,1-3H3;2*1H.
What are the key properties of 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride?
4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride has a molecular weight of 344.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 3021513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).