N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

C21H21N7OS2 — CID 134422625

IUPACN-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCS(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1
InChIInChI=1S/C21H21N7OS2/c1-31(29)28-12-10-27(11-13-28)16-6-9-23-19(14-16)26-21-25-18-3-2-17(24-20(18)30-21)15-4-7-22-8-5-15/h2-9,14H,10-13H2,1H3,(H,23,25,26)
InChIKeyMLRAALLRFLNOGA-UHFFFAOYSA-N
MW451.58 g/mol
LogP3.31
Rot. Bonds5

About N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 134422625) has the molecular formula C21H21N7OS2 and a molecular weight of 451.58 g/mol. Its IUPAC name is N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID134422625
Molecular FormulaC21H21N7OS2
Molecular Weight451.58 g/mol
Exact Mass451.12
IUPAC NameN-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCS(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1
InChIInChI=1S/C21H21N7OS2/c1-31(29)28-12-10-27(11-13-28)16-6-9-23-19(14-16)26-21-25-18-3-2-17(24-20(18)30-21)15-4-7-22-8-5-15/h2-9,14H,10-13H2,1H3,(H,23,25,26)
InChIKeyMLRAALLRFLNOGA-UHFFFAOYSA-N
XLogP3.31
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine 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-propan-2-yloxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 87944549
5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87944732
N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 135295325
6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine
CID 134422602
N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945651
N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945605
N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87944735
N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945561
N-(4-cyclopentyloxy-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87944575
N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine
CID 24831962
N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 24829522
N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide
CID 15979014

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 134422625) is N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is CS(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1.
What is the InChIKey of N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is MLRAALLRFLNOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7OS2/c1-31(29)28-12-10-27(11-13-28)16-6-9-23-19(14-16)26-21-25-18-3-2-17(24-20(18)30-21)15-4-7-22-8-5-15/h2-9,14H,10-13H2,1H3,(H,23,25,26).
What are the key properties of N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 451.58 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 134422625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).