2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine

C20H16ClFN6OS — CID 56952096

IUPAC2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESFc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(N4CCOCC4)ncn3)c2s1
InChIInChI=1S/C20H16ClFN6OS/c21-12-2-1-3-13(22)17(12)20-26-14-4-5-23-19(18(14)30-20)27-15-10-16(25-11-24-15)28-6-8-29-9-7-28/h1-5,10-11H,6-9H2,(H,23,24,25,27)
InChIKeyJGUNLTGWIBZXGK-UHFFFAOYSA-N
MW442.91 g/mol
LogP4.52
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine

2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine (PubChem CID 56952096) has the molecular formula C20H16ClFN6OS and a molecular weight of 442.91 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
PubChem CID56952096
Molecular FormulaC20H16ClFN6OS
Molecular Weight442.91 g/mol
Exact Mass442.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESFc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(N4CCOCC4)ncn3)c2s1
InChIInChI=1S/C20H16ClFN6OS/c21-12-2-1-3-13(22)17(12)20-26-14-4-5-23-19(18(14)30-20)27-15-10-16(25-11-24-15)28-6-8-29-9-7-28/h1-5,10-11H,6-9H2,(H,23,24,25,27)
InChIKeyJGUNLTGWIBZXGK-UHFFFAOYSA-N
XLogP4.52
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine (CID 56952096) is 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine is Fc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(N4CCOCC4)ncn3)c2s1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The InChIKey is JGUNLTGWIBZXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6OS/c21-12-2-1-3-13(22)17(12)20-26-14-4-5-23-19(18(14)30-20)27-15-10-16(25-11-24-15)28-6-8-29-9-7-28/h1-5,10-11H,6-9H2,(H,23,24,25,27).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine has a molecular weight of 442.91 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine is sourced from PubChem (CID 56952096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).