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

C28H34N8OS — CID 24772298

IUPAC2-[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
SMILESCc1ccc(N(C)c2ccc3nc(Nc4cc(CN5CCN(CC(=O)N(C)C)CC5)ccn4)sc3n2)cc1
InChIInChI=1S/C28H34N8OS/c1-20-5-7-22(8-6-20)34(4)25-10-9-23-27(32-25)38-28(30-23)31-24-17-21(11-12-29-24)18-35-13-15-36(16-14-35)19-26(37)33(2)3/h5-12,17H,13-16,18-19H2,1-4H3,(H,29,30,31)
InChIKeyVIICCIUDXHEAMT-UHFFFAOYSA-N
MW530.70 g/mol
LogP4.11
Rot. Bonds8

About 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

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 (PubChem CID 24772298) has the molecular formula C28H34N8OS and a molecular weight of 530.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID24772298
Molecular FormulaC28H34N8OS
Molecular Weight530.70 g/mol
Exact Mass530.26
IUPAC Name2-[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
SMILESCc1ccc(N(C)c2ccc3nc(Nc4cc(CN5CCN(CC(=O)N(C)C)CC5)ccn4)sc3n2)cc1
InChIInChI=1S/C28H34N8OS/c1-20-5-7-22(8-6-20)34(4)25-10-9-23-27(32-25)38-28(30-23)31-24-17-21(11-12-29-24)18-35-13-15-36(16-14-35)19-26(37)33(2)3/h5-12,17H,13-16,18-19H2,1-4H3,(H,29,30,31)
InChIKeyVIICCIUDXHEAMT-UHFFFAOYSA-N
XLogP4.11
TPSA80.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.70
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
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]-N-(2-morpholin-4-ylethyl)acetamide
CID 24772361
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]methyl-methylamino]-N-hydroxypropanamide
CID 87816614

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(C)c2ccc3nc(Nc4cc(CN5CCN(CC(=O)N(C)C)CC5)ccn4)sc3n2)cc1.
What is the InChIKey of 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?
The InChIKey is VIICCIUDXHEAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8OS/c1-20-5-7-22(8-6-20)34(4)25-10-9-23-27(32-25)38-28(30-23)31-24-17-21(11-12-29-24)18-35-13-15-36(16-14-35)19-26(37)33(2)3/h5-12,17H,13-16,18-19H2,1-4H3,(H,29,30,31).
What are the key properties of 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?
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 has a molecular weight of 530.70 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24772298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).