1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone

C21H23N7OS — CID 164626165

IUPAC1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(Nc3ncc4c(n3)-c3sc(N)nc3CC4)c2)CC1
InChIInChI=1S/C21H23N7OS/c1-13(29)27-7-9-28(10-8-27)16-4-2-3-15(11-16)24-21-23-12-14-5-6-17-19(18(14)26-21)30-20(22)25-17/h2-4,11-12H,5-10H2,1H3,(H2,22,25)(H,23,24,26)
InChIKeyOZPGXTWXUQVREL-UHFFFAOYSA-N
MW421.53 g/mol
LogP2.69
Rot. Bonds3

About 1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone

1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone (PubChem CID 164626165) has the molecular formula C21H23N7OS and a molecular weight of 421.53 g/mol. Its IUPAC name is 1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone
PubChem CID164626165
Molecular FormulaC21H23N7OS
Molecular Weight421.53 g/mol
Exact Mass421.17
IUPAC Name1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(Nc3ncc4c(n3)-c3sc(N)nc3CC4)c2)CC1
InChIInChI=1S/C21H23N7OS/c1-13(29)27-7-9-28(10-8-27)16-4-2-3-15(11-16)24-21-23-12-14-5-6-17-19(18(14)26-21)30-20(22)25-17/h2-4,11-12H,5-10H2,1H3,(H2,22,25)(H,23,24,26)
InChIKeyOZPGXTWXUQVREL-UHFFFAOYSA-N
XLogP2.69
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone 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 1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone (CID 164626165) is 1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cccc(Nc3ncc4c(n3)-c3sc(N)nc3CC4)c2)CC1.
What is the InChIKey of 1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone?
The InChIKey is OZPGXTWXUQVREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7OS/c1-13(29)27-7-9-28(10-8-27)16-4-2-3-15(11-16)24-21-23-12-14-5-6-17-19(18(14)26-21)30-20(22)25-17/h2-4,11-12H,5-10H2,1H3,(H2,22,25)(H,23,24,26).
What are the key properties of 1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone?
1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone has a molecular weight of 421.53 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(2-amino-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 164626165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).