1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone

C24H26N6O2S — CID 59262915

IUPAC1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2nc3c(s2)-c2nc(Nc4cc(C)cc(C)c4)ncc2CC3)CC1
InChIInChI=1S/C24H26N6O2S/c1-14-10-15(2)12-18(11-14)26-24-25-13-17-4-5-19-21(20(17)28-24)33-22(27-19)23(32)30-8-6-29(7-9-30)16(3)31/h10-13H,4-9H2,1-3H3,(H,25,26,28)
InChIKeyRCIMPYPNXZKAIK-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.36
Rot. Bonds3

About 1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 59262915) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is 1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID59262915
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2nc3c(s2)-c2nc(Nc4cc(C)cc(C)c4)ncc2CC3)CC1
InChIInChI=1S/C24H26N6O2S/c1-14-10-15(2)12-18(11-14)26-24-25-13-17-4-5-19-21(20(17)28-24)33-22(27-19)23(32)30-8-6-29(7-9-30)16(3)31/h10-13H,4-9H2,1-3H3,(H,25,26,28)
InChIKeyRCIMPYPNXZKAIK-UHFFFAOYSA-N
XLogP3.36
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]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-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone (CID 59262915) is 1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2nc3c(s2)-c2nc(Nc4cc(C)cc(C)c4)ncc2CC3)CC1.
What is the InChIKey of 1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is RCIMPYPNXZKAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-14-10-15(2)12-18(11-14)26-24-25-13-17-4-5-19-21(20(17)28-24)33-22(27-19)23(32)30-8-6-29(7-9-30)16(3)31/h10-13H,4-9H2,1-3H3,(H,25,26,28).
What are the key properties of 1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 462.58 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 59262915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).