2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide

C24H27N7O2S — CID 87816614

IUPAC2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide
SMILESCc1ccc(N(C)c2ccc3nc(Nc4cc(CN(C)C(C)C(=O)NO)ccn4)sc3n2)cc1
InChIInChI=1S/C24H27N7O2S/c1-15-5-7-18(8-6-15)31(4)21-10-9-19-23(28-21)34-24(26-19)27-20-13-17(11-12-25-20)14-30(3)16(2)22(32)29-33/h5-13,16,33H,14H2,1-4H3,(H,29,32)(H,25,26,27)
InChIKeyAPGVBFNIJYPLFP-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.23
Rot. Bonds8

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

2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide (PubChem CID 87816614) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide
PubChem CID87816614
Molecular FormulaC24H27N7O2S
Molecular Weight477.59 g/mol
Exact Mass477.19
IUPAC Name2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide
SMILESCc1ccc(N(C)c2ccc3nc(Nc4cc(CN(C)C(C)C(=O)NO)ccn4)sc3n2)cc1
InChIInChI=1S/C24H27N7O2S/c1-15-5-7-18(8-6-15)31(4)21-10-9-19-23(28-21)34-24(26-19)27-20-13-17(11-12-25-20)14-30(3)16(2)22(32)29-33/h5-13,16,33H,14H2,1-4H3,(H,29,32)(H,25,26,27)
InChIKeyAPGVBFNIJYPLFP-UHFFFAOYSA-N
XLogP4.23
TPSA106.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate
CID 87813466
2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide
CID 87813639
2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
CID 87812424
2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-2-methylpropanoic acid
CID 87813199
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
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
5-N-(4-fluorophenyl)-2-N-[4-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
CID 24772689
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide?
The IUPAC name of 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide (CID 87816614) is 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide?
The canonical SMILES for 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide is Cc1ccc(N(C)c2ccc3nc(Nc4cc(CN(C)C(C)C(=O)NO)ccn4)sc3n2)cc1.
What is the InChIKey of 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide?
The InChIKey is APGVBFNIJYPLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S/c1-15-5-7-18(8-6-15)31(4)21-10-9-19-23(28-21)34-24(26-19)27-20-13-17(11-12-25-20)14-30(3)16(2)22(32)29-33/h5-13,16,33H,14H2,1-4H3,(H,29,32)(H,25,26,27).
What are the key properties of 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide?
2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide has a molecular weight of 477.59 g/mol, XLogP of 4.23, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl-methylamino]-N-hydroxypropanamide is sourced from PubChem (CID 87816614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).