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

C16H21Cl4N3S — CID 3021504

IUPAC5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;dihydrochloride
SMILESCc1ncsc1CCN1CCN(c2ccc(Cl)cc2Cl)CC1.Cl.Cl
InChIInChI=1S/C16H19Cl2N3S.2ClH/c1-12-16(22-11-19-12)4-5-20-6-8-21(9-7-20)15-3-2-13(17)10-14(15)18;;/h2-3,10-11H,4-9H2,1H3;2*1H
InChIKeyIDLZDPWZORJGHU-UHFFFAOYSA-N
MW429.24 g/mol
LogP4.97
Rot. Bonds4

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

5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;dihydrochloride (PubChem CID 3021504) has the molecular formula C16H21Cl4N3S and a molecular weight of 429.24 g/mol. Its IUPAC name is 5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;dihydrochloride
PubChem CID3021504
Molecular FormulaC16H21Cl4N3S
Molecular Weight429.24 g/mol
Exact Mass427.02
IUPAC Name5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;dihydrochloride
SMILESCc1ncsc1CCN1CCN(c2ccc(Cl)cc2Cl)CC1.Cl.Cl
InChIInChI=1S/C16H19Cl2N3S.2ClH/c1-12-16(22-11-19-12)4-5-20-6-8-21(9-7-20)15-3-2-13(17)10-14(15)18;;/h2-3,10-11H,4-9H2,1H3;2*1H
InChIKeyIDLZDPWZORJGHU-UHFFFAOYSA-N
XLogP4.97
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.24
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;dihydrochloride?
The IUPAC name of 5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;dihydrochloride (CID 3021504) is 5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;dihydrochloride is Cc1ncsc1CCN1CCN(c2ccc(Cl)cc2Cl)CC1.Cl.Cl.
What is the InChIKey of 5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;dihydrochloride?
The InChIKey is IDLZDPWZORJGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3S.2ClH/c1-12-16(22-11-19-12)4-5-20-6-8-21(9-7-20)15-3-2-13(17)10-14(15)18;;/h2-3,10-11H,4-9H2,1H3;2*1H.
What are the key properties of 5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;dihydrochloride?
5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;dihydrochloride has a molecular weight of 429.24 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 3021504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).