[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone

C24H24N6O2S — CID 87812811

IUPAC[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1ccc(N(C)c2ccc3nc(Nc4cc(C(=O)N5CCOCC5)ccn4)sc3n2)cc1
InChIInChI=1S/C24H24N6O2S/c1-16-3-5-18(6-4-16)29(2)21-8-7-19-22(28-21)33-24(26-19)27-20-15-17(9-10-25-20)23(31)30-11-13-32-14-12-30/h3-10,15H,11-14H2,1-2H3,(H,25,26,27)
InChIKeyUNUAAGXGOMBWDW-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.38
Rot. Bonds5

About [2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone

[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 87812811) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is [2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone
PubChem CID87812811
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC Name[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1ccc(N(C)c2ccc3nc(Nc4cc(C(=O)N5CCOCC5)ccn4)sc3n2)cc1
InChIInChI=1S/C24H24N6O2S/c1-16-3-5-18(6-4-16)29(2)21-8-7-19-22(28-21)33-24(26-19)27-20-15-17(9-10-25-20)23(31)30-11-13-32-14-12-30/h3-10,15H,11-14H2,1-2H3,(H,25,26,27)
InChIKeyUNUAAGXGOMBWDW-UHFFFAOYSA-N
XLogP4.38
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 24772361
2-[4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24772298
2-[4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]acetic acid
CID 24772297
methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate
CID 87813466
1-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperidin-4-one
CID 87812634
5-N-methyl-5-N-(4-methylphenyl)-2-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
CID 90861769
1-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol
CID 87812835
2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-2-methylpropanoic acid
CID 87813199
4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one
CID 87813134
2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide
CID 87816614
2-[6-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 89358736
4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 24772621

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone (CID 87812811) is [2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone is Cc1ccc(N(C)c2ccc3nc(Nc4cc(C(=O)N5CCOCC5)ccn4)sc3n2)cc1.
What is the InChIKey of [2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is UNUAAGXGOMBWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-16-3-5-18(6-4-16)29(2)21-8-7-19-22(28-21)33-24(26-19)27-20-15-17(9-10-25-20)23(31)30-11-13-32-14-12-30/h3-10,15H,11-14H2,1-2H3,(H,25,26,27).
What are the key properties of [2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone?
[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 460.56 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 87812811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).