2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one

C22H22F3N5OS — CID 146344007

IUPAC2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one
SMILESO=C1c2cnc(C(F)(F)F)cc2CCN1CCN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C22H22F3N5OS/c23-22(24,25)19-13-15-5-6-30(21(31)17(15)14-26-19)12-9-28-7-10-29(11-8-28)20-16-3-1-2-4-18(16)32-27-20/h1-4,13-14H,5-12H2
InChIKeyUWFAHEVNGNMETJ-UHFFFAOYSA-N
MW461.51 g/mol
LogP3.53
Rot. Bonds4

About 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one

2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one (PubChem CID 146344007) has the molecular formula C22H22F3N5OS and a molecular weight of 461.51 g/mol. Its IUPAC name is 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one
PubChem CID146344007
Molecular FormulaC22H22F3N5OS
Molecular Weight461.51 g/mol
Exact Mass461.15
IUPAC Name2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one
SMILESO=C1c2cnc(C(F)(F)F)cc2CCN1CCN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C22H22F3N5OS/c23-22(24,25)19-13-15-5-6-30(21(31)17(15)14-26-19)12-9-28-7-10-29(11-8-28)20-16-3-1-2-4-18(16)32-27-20/h1-4,13-14H,5-12H2
InChIKeyUWFAHEVNGNMETJ-UHFFFAOYSA-N
XLogP3.53
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one?
The IUPAC name of 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one (CID 146344007) is 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one is O=C1c2cnc(C(F)(F)F)cc2CCN1CCN1CCN(c2nsc3ccccc23)CC1.
What is the InChIKey of 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one?
The InChIKey is UWFAHEVNGNMETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5OS/c23-22(24,25)19-13-15-5-6-30(21(31)17(15)14-26-19)12-9-28-7-10-29(11-8-28)20-16-3-1-2-4-18(16)32-27-20/h1-4,13-14H,5-12H2.
What are the key properties of 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one?
2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one has a molecular weight of 461.51 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3,4-dihydro-2,7-naphthyridin-1-one is sourced from PubChem (CID 146344007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).