6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole

C20H23N3S — CID 121081540

IUPAC6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
SMILESCCc1ccc2nc(N3CCN(c4cccc(C)c4)CC3)sc2c1
InChIInChI=1S/C20H23N3S/c1-3-16-7-8-18-19(14-16)24-20(21-18)23-11-9-22(10-12-23)17-6-4-5-15(2)13-17/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyBXESXSNZPNWEIF-UHFFFAOYSA-N
MW337.49 g/mol
LogP4.49
Rot. Bonds3

About 6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole

6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole (PubChem CID 121081540) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
PubChem CID121081540
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC Name6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
SMILESCCc1ccc2nc(N3CCN(c4cccc(C)c4)CC3)sc2c1
InChIInChI=1S/C20H23N3S/c1-3-16-7-8-18-19(14-16)24-20(21-18)23-11-9-22(10-12-23)17-6-4-5-15(2)13-17/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyBXESXSNZPNWEIF-UHFFFAOYSA-N
XLogP4.49
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 16941609
2-[4-(3-methylphenyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole
CID 56553963
2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole
CID 121083428
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941555
6-ethyl-2-(4-methylsulfonylpiperazin-1-yl)-1,3-benzothiazole
CID 108781505
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole
CID 16941535
(E)-1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]but-2-en-1-one
CID 108756307
(2,5-dimethylphenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7538954
1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7538935
4-ethoxy-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081648
6-ethyl-2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 172901090
N-ethyl-4-(6-ethyl-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide
CID 108781518

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole?
The IUPAC name of 6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole (CID 121081540) is 6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole is CCc1ccc2nc(N3CCN(c4cccc(C)c4)CC3)sc2c1.
What is the InChIKey of 6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole?
The InChIKey is BXESXSNZPNWEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S/c1-3-16-7-8-18-19(14-16)24-20(21-18)23-11-9-22(10-12-23)17-6-4-5-15(2)13-17/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of 6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole?
6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole has a molecular weight of 337.49 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 121081540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).