2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole

C20H23N3S — CID 90601926

IUPAC2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole
SMILESCCc1cccc2sc(N3CCN(Cc4ccccc4)CC3)nc12
InChIInChI=1S/C20H23N3S/c1-2-17-9-6-10-18-19(17)21-20(24-18)23-13-11-22(12-14-23)15-16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3
InChIKeyRLWMWFYIHKVQRE-UHFFFAOYSA-N
MW337.49 g/mol
LogP4.18
Rot. Bonds4

About 2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole

2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole (PubChem CID 90601926) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole
PubChem CID90601926
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC Name2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole
SMILESCCc1cccc2sc(N3CCN(Cc4ccccc4)CC3)nc12
InChIInChI=1S/C20H23N3S/c1-2-17-9-6-10-18-19(17)21-20(24-18)23-13-11-22(12-14-23)15-16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3
InChIKeyRLWMWFYIHKVQRE-UHFFFAOYSA-N
XLogP4.18
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)-4-methyl-1,3-benzothiazole
CID 90601922
4-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081618
2-(4-benzylpiperazin-1-yl)-5-chloro-4-methyl-1,3-benzothiazole
CID 90601986
2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,5-dimethyl-1,3-benzothiazole
CID 16941475
2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-difluoro-1,3-benzothiazole
CID 16941476
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethyl-1,3-benzothiazole
CID 121081620
[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 41116010
[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone
CID 41116005
[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7539304
2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44896623
2-(4-benzylpiperazin-1-yl)-6-methoxy-1,3-benzothiazole
CID 90601897
[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7539301

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole (CID 90601926) is 2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole is CCc1cccc2sc(N3CCN(Cc4ccccc4)CC3)nc12.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole?
The InChIKey is RLWMWFYIHKVQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S/c1-2-17-9-6-10-18-19(17)21-20(24-18)23-13-11-22(12-14-23)15-16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole?
2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole has a molecular weight of 337.49 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-4-ethyl-1,3-benzothiazole is sourced from PubChem (CID 90601926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).