2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole

C18H18FN3OS — CID 121081547

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
SMILESCOc1ccc2nc(N3CCN(c4ccccc4F)CC3)sc2c1
InChIInChI=1S/C18H18FN3OS/c1-23-13-6-7-15-17(12-13)24-18(20-15)22-10-8-21(9-11-22)16-5-3-2-4-14(16)19/h2-7,12H,8-11H2,1H3
InChIKeyBXLIPVBGLHEXQJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.77
Rot. Bonds3

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole

2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole (PubChem CID 121081547) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
PubChem CID121081547
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
SMILESCOc1ccc2nc(N3CCN(c4ccccc4F)CC3)sc2c1
InChIInChI=1S/C18H18FN3OS/c1-23-13-6-7-15-17(12-13)24-18(20-15)22-10-8-21(9-11-22)16-5-3-2-4-14(16)19/h2-7,12H,8-11H2,1H3
InChIKeyBXLIPVBGLHEXQJ-UHFFFAOYSA-N
XLogP3.77
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
6-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083473
2-(4-benzylpiperazin-1-yl)-6-methoxy-1,3-benzothiazole
CID 90601897
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941555
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 90611602
2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,7-dimethyl-1,3-benzothiazole
CID 16941566
6-chloro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081574
6-methoxy-2-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 108775283
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941357
2-[4-(2-fluorophenyl)piperazin-1-yl]-4,7-dimethoxy-1,3-benzothiazole
CID 121081717
6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
CID 16941570
(3,5-dimethoxyphenyl)-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7538973

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole (CID 121081547) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole is COc1ccc2nc(N3CCN(c4ccccc4F)CC3)sc2c1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole?
The InChIKey is BXLIPVBGLHEXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-23-13-6-7-15-17(12-13)24-18(20-15)22-10-8-21(9-11-22)16-5-3-2-4-14(16)19/h2-7,12H,8-11H2,1H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole?
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole has a molecular weight of 343.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole is sourced from PubChem (CID 121081547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).