(3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

C20H20FN3O2S — CID 7292678

IUPAC(3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C)c2sc(N3CCN(C(=O)c4cccc(F)c4)CC3)nc12
InChIInChI=1S/C20H20FN3O2S/c1-13-6-7-16(26-2)17-18(13)27-20(22-17)24-10-8-23(9-11-24)19(25)14-4-3-5-15(21)12-14/h3-7,12H,8-11H2,1-2H3
InChIKeyCMAODZYCYKNOLJ-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.71
Rot. Bonds3

About (3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

(3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 7292678) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
PubChem CID7292678
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name(3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C)c2sc(N3CCN(C(=O)c4cccc(F)c4)CC3)nc12
InChIInChI=1S/C20H20FN3O2S/c1-13-6-7-16(26-2)17-18(13)27-20(22-17)24-10-8-23(9-11-24)19(25)14-4-3-5-15(21)12-14/h3-7,12H,8-11H2,1-2H3
InChIKeyCMAODZYCYKNOLJ-UHFFFAOYSA-N
XLogP3.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (CID 7292678) is (3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is COc1ccc(C)c2sc(N3CCN(C(=O)c4cccc(F)c4)CC3)nc12.
What is the InChIKey of (3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is CMAODZYCYKNOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-13-6-7-16(26-2)17-18(13)27-20(22-17)24-10-8-23(9-11-24)19(25)14-4-3-5-15(21)12-14/h3-7,12H,8-11H2,1-2H3.
What are the key properties of (3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 385.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7292678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).