6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one

C21H24N4O2S — CID 166583858

IUPAC6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one
SMILESCc1cc2c(o1)C(=O)N(CCN1CCN(c3nsc4ccccc34)CC1)CC2
InChIInChI=1S/C21H24N4O2S/c1-15-14-16-6-7-25(21(26)19(16)27-15)13-10-23-8-11-24(12-9-23)20-17-4-2-3-5-18(17)28-22-20/h2-5,14H,6-13H2,1H3
InChIKeyPPGDUADYCDHWSH-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.02
Rot. Bonds4

About 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one

6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one (PubChem CID 166583858) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one
PubChem CID166583858
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one
SMILESCc1cc2c(o1)C(=O)N(CCN1CCN(c3nsc4ccccc34)CC1)CC2
InChIInChI=1S/C21H24N4O2S/c1-15-14-16-6-7-25(21(26)19(16)27-15)13-10-23-8-11-24(12-9-23)20-17-4-2-3-5-18(17)28-22-20/h2-5,14H,6-13H2,1H3
InChIKeyPPGDUADYCDHWSH-UHFFFAOYSA-N
XLogP3.02
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-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 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one?
The IUPAC name of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one (CID 166583858) is 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one is Cc1cc2c(o1)C(=O)N(CCN1CCN(c3nsc4ccccc34)CC1)CC2.
What is the InChIKey of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one?
The InChIKey is PPGDUADYCDHWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-15-14-16-6-7-25(21(26)19(16)27-15)13-10-23-8-11-24(12-9-23)20-17-4-2-3-5-18(17)28-22-20/h2-5,14H,6-13H2,1H3.
What are the key properties of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one?
6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one has a molecular weight of 396.52 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-4,5-dihydrofuro[2,3-c]pyridin-7-one is sourced from PubChem (CID 166583858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).