6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide

C22H20F2N6O2S — CID 24772112

IUPAC6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide
SMILESCN(CCO)C(=O)c1ccc(Nc2nc3ccc(N(C)c4ccc(F)cc4F)nc3s2)nc1
InChIInChI=1S/C22H20F2N6O2S/c1-29(9-10-31)21(32)13-3-7-18(25-12-13)27-22-26-16-5-8-19(28-20(16)33-22)30(2)17-6-4-14(23)11-15(17)24/h3-8,11-12,31H,9-10H2,1-2H3,(H,25,26,27)
InChIKeyBHPYTLREDXUEKJ-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.94
Rot. Bonds7

About 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide

6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide (PubChem CID 24772112) has the molecular formula C22H20F2N6O2S and a molecular weight of 470.51 g/mol. Its IUPAC name is 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide
PubChem CID24772112
Molecular FormulaC22H20F2N6O2S
Molecular Weight470.51 g/mol
Exact Mass470.13
IUPAC Name6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide
SMILESCN(CCO)C(=O)c1ccc(Nc2nc3ccc(N(C)c4ccc(F)cc4F)nc3s2)nc1
InChIInChI=1S/C22H20F2N6O2S/c1-29(9-10-31)21(32)13-3-7-18(25-12-13)27-22-26-16-5-8-19(28-20(16)33-22)30(2)17-6-4-14(23)11-15(17)24/h3-8,11-12,31H,9-10H2,1-2H3,(H,25,26,27)
InChIKeyBHPYTLREDXUEKJ-UHFFFAOYSA-N
XLogP3.94
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide (CID 24772112) is 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide is CN(CCO)C(=O)c1ccc(Nc2nc3ccc(N(C)c4ccc(F)cc4F)nc3s2)nc1.
What is the InChIKey of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is BHPYTLREDXUEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O2S/c1-29(9-10-31)21(32)13-3-7-18(25-12-13)27-22-26-16-5-8-19(28-20(16)33-22)30(2)17-6-4-14(23)11-15(17)24/h3-8,11-12,31H,9-10H2,1-2H3,(H,25,26,27).
What are the key properties of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide?
6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 470.51 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 24772112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).