1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol

C18H13Cl2N5O2S — CID 66801305

IUPAC1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol
SMILESOCC(O)c1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)sc23)ncn1
InChIInChI=1S/C18H13Cl2N5O2S/c19-9-2-1-3-10(20)15(9)18-24-11-4-5-21-17(16(11)28-18)25-14-6-12(13(27)7-26)22-8-23-14/h1-6,8,13,26-27H,7H2,(H,21,22,23,25)
InChIKeyBGOJCNOALKOWGO-UHFFFAOYSA-N
MW434.31 g/mol
LogP4.22
Rot. Bonds5

About 1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol

1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol (PubChem CID 66801305) has the molecular formula C18H13Cl2N5O2S and a molecular weight of 434.31 g/mol. Its IUPAC name is 1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol
PubChem CID66801305
Molecular FormulaC18H13Cl2N5O2S
Molecular Weight434.31 g/mol
Exact Mass433.02
IUPAC Name1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol
SMILESOCC(O)c1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)sc23)ncn1
InChIInChI=1S/C18H13Cl2N5O2S/c19-9-2-1-3-10(20)15(9)18-24-11-4-5-21-17(16(11)28-18)25-14-6-12(13(27)7-26)22-8-23-14/h1-6,8,13,26-27H,7H2,(H,21,22,23,25)
InChIKeyBGOJCNOALKOWGO-UHFFFAOYSA-N
XLogP4.22
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.31
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol 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

4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 66807105
2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 56953484
3,5-dichloro-4-[4-[(6-chloropyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile
CID 86668995
3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzenecarboximidamide
CID 66801280
1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea
CID 56952418
2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 66801583
tert-butyl N-[3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]carbamate;1,4-dioxane
CID 161127573
[2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-4-pyridinyl]methanol
CID 67383781
4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine
CID 67383893
2-(2,6-dichlorophenyl)-N-(6-methylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383612
2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol
CID 67383342
[2-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-4-pyridinyl]methanol
CID 66803370

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol (CID 66801305) is 1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol is OCC(O)c1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)sc23)ncn1.
What is the InChIKey of 1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol?
The InChIKey is BGOJCNOALKOWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5O2S/c19-9-2-1-3-10(20)15(9)18-24-11-4-5-21-17(16(11)28-18)25-14-6-12(13(27)7-26)22-8-23-14/h1-6,8,13,26-27H,7H2,(H,21,22,23,25).
What are the key properties of 1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol?
1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol has a molecular weight of 434.31 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]ethane-1,2-diol is sourced from PubChem (CID 66801305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).