2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol

C21H27N7OS — CID 90287938

IUPAC2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CC1
InChIInChI=1S/C21H27N7OS/c29-12-11-27-7-9-28(10-8-27)16-13-18-17(22-14-16)5-6-19(23-18)24-21-26-25-20(30-21)15-3-1-2-4-15/h5-6,13-15,29H,1-4,7-12H2,(H,23,24,26)
InChIKeyDWFPKNDHZQOXNX-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.00
Rot. Bonds6

About 2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol

2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol (PubChem CID 90287938) has the molecular formula C21H27N7OS and a molecular weight of 425.56 g/mol. Its IUPAC name is 2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol
PubChem CID90287938
Molecular FormulaC21H27N7OS
Molecular Weight425.56 g/mol
Exact Mass425.20
IUPAC Name2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CC1
InChIInChI=1S/C21H27N7OS/c29-12-11-27-7-9-28(10-8-27)16-13-18-17(22-14-16)5-6-19(23-18)24-21-26-25-20(30-21)15-3-1-2-4-15/h5-6,13-15,29H,1-4,7-12H2,(H,23,24,26)
InChIKeyDWFPKNDHZQOXNX-UHFFFAOYSA-N
XLogP3.00
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol 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-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol (CID 90287938) is 2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CC1.
What is the InChIKey of 2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol?
The InChIKey is DWFPKNDHZQOXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7OS/c29-12-11-27-7-9-28(10-8-27)16-13-18-17(22-14-16)5-6-19(23-18)24-21-26-25-20(30-21)15-3-1-2-4-15/h5-6,13-15,29H,1-4,7-12H2,(H,23,24,26).
What are the key properties of 2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol?
2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol has a molecular weight of 425.56 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 90287938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).