5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole

C18H24ClN3S2 — CID 3021522

IUPAC5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole
SMILESCCSc1nc(C)c(CCN2CCN(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C18H24ClN3S2/c1-3-23-18-20-14(2)17(24-18)8-9-21-10-12-22(13-11-21)16-6-4-15(19)5-7-16/h4-7H,3,8-13H2,1-2H3
InChIKeyFSMXYXWRITVBOB-UHFFFAOYSA-N
MW382.00 g/mol
LogP4.58
Rot. Bonds6

About 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole

5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole (PubChem CID 3021522) has the molecular formula C18H24ClN3S2 and a molecular weight of 382.00 g/mol. Its IUPAC name is 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole
PubChem CID3021522
Molecular FormulaC18H24ClN3S2
Molecular Weight382.00 g/mol
Exact Mass381.11
IUPAC Name5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole
SMILESCCSc1nc(C)c(CCN2CCN(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C18H24ClN3S2/c1-3-23-18-20-14(2)17(24-18)8-9-21-10-12-22(13-11-21)16-6-4-15(19)5-7-16/h4-7H,3,8-13H2,1-2H3
InChIKeyFSMXYXWRITVBOB-UHFFFAOYSA-N
XLogP4.58
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.00
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole (CID 3021522) is 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole is CCSc1nc(C)c(CCN2CCN(c3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole?
The InChIKey is FSMXYXWRITVBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3S2/c1-3-23-18-20-14(2)17(24-18)8-9-21-10-12-22(13-11-21)16-6-4-15(19)5-7-16/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole?
5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole has a molecular weight of 382.00 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 3021522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).