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

C23H23N5O2S — CID 87813466

IUPACmethyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate
SMILESCOC(=O)CCc1ccnc(Nc2nc3ccc(N(C)c4ccc(C)cc4)nc3s2)c1
InChIInChI=1S/C23H23N5O2S/c1-15-4-7-17(8-5-15)28(2)20-10-9-18-22(27-20)31-23(25-18)26-19-14-16(12-13-24-19)6-11-21(29)30-3/h4-5,7-10,12-14H,6,11H2,1-3H3,(H,24,25,26)
InChIKeyKDZGFWLKGKJUPP-UHFFFAOYSA-N
MW433.54 g/mol
LogP5.01
Rot. Bonds7

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

methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate (PubChem CID 87813466) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate
PubChem CID87813466
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Namemethyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate
SMILESCOC(=O)CCc1ccnc(Nc2nc3ccc(N(C)c4ccc(C)cc4)nc3s2)c1
InChIInChI=1S/C23H23N5O2S/c1-15-4-7-17(8-5-15)28(2)20-10-9-18-22(27-20)31-23(25-18)26-19-14-16(12-13-24-19)6-11-21(29)30-3/h4-5,7-10,12-14H,6,11H2,1-3H3,(H,24,25,26)
InChIKeyKDZGFWLKGKJUPP-UHFFFAOYSA-N
XLogP5.01
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.54
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

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]methyl-methylamino]-N-hydroxypropanamide
CID 87816614
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-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide
CID 87813639
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
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
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
2-N-[4-(chloromethyl)-2-pyridinyl]-5-N-(4-fluorophenyl)-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
CID 90954309
[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone
CID 87812811
1-[4-[[2-[[5-(4-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 24772564

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate?
The IUPAC name of methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate (CID 87813466) is methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate.
What is the SMILES notation for methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate?
The canonical SMILES for methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate is COC(=O)CCc1ccnc(Nc2nc3ccc(N(C)c4ccc(C)cc4)nc3s2)c1.
What is the InChIKey of methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate?
The InChIKey is KDZGFWLKGKJUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-15-4-7-17(8-5-15)28(2)20-10-9-18-22(27-20)31-23(25-18)26-19-14-16(12-13-24-19)6-11-21(29)30-3/h4-5,7-10,12-14H,6,11H2,1-3H3,(H,24,25,26).
What are the key properties of methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate?
methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate has a molecular weight of 433.54 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate is sourced from PubChem (CID 87813466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).