6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole

C15H20FN3S — CID 120843834

IUPAC6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole
SMILESCCCC1CNCCN1Cc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H20FN3S/c1-2-3-12-9-17-6-7-19(12)10-15-18-13-5-4-11(16)8-14(13)20-15/h4-5,8,12,17H,2-3,6-7,9-10H2,1H3
InChIKeyIOYODTBOKAODJS-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.01
Rot. Bonds4

About 6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole

6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole (PubChem CID 120843834) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole
PubChem CID120843834
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole
SMILESCCCC1CNCCN1Cc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H20FN3S/c1-2-3-12-9-17-6-7-19(12)10-15-18-13-5-4-11(16)8-14(13)20-15/h4-5,8,12,17H,2-3,6-7,9-10H2,1H3
InChIKeyIOYODTBOKAODJS-UHFFFAOYSA-N
XLogP3.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole?
The IUPAC name of 6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole (CID 120843834) is 6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole.
What is the SMILES notation for 6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole?
The canonical SMILES for 6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole is CCCC1CNCCN1Cc1nc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole?
The InChIKey is IOYODTBOKAODJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-2-3-12-9-17-6-7-19(12)10-15-18-13-5-4-11(16)8-14(13)20-15/h4-5,8,12,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole?
6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole has a molecular weight of 293.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(2-propylpiperazin-1-yl)methyl]-1,3-benzothiazole is sourced from PubChem (CID 120843834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).