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

C21H18ClFN6OS — CID 56952095

IUPAC2-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESCc1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)nc(N2CCOCC2)n1
InChIInChI=1S/C21H18ClFN6OS/c1-12-11-16(28-21(25-12)29-7-9-30-10-8-29)27-19-18-15(5-6-24-19)26-20(31-18)17-13(22)3-2-4-14(17)23/h2-6,11H,7-10H2,1H3,(H,24,25,27,28)
InChIKeyIBQBRCUPYVRJQZ-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.83
Rot. Bonds4

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

2-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine (PubChem CID 56952095) has the molecular formula C21H18ClFN6OS and a molecular weight of 456.93 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
PubChem CID56952095
Molecular FormulaC21H18ClFN6OS
Molecular Weight456.93 g/mol
Exact Mass456.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESCc1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)nc(N2CCOCC2)n1
InChIInChI=1S/C21H18ClFN6OS/c1-12-11-16(28-21(25-12)29-7-9-30-10-8-29)27-19-18-15(5-6-24-19)26-20(31-18)17-13(22)3-2-4-14(17)23/h2-6,11H,7-10H2,1H3,(H,24,25,27,28)
InChIKeyIBQBRCUPYVRJQZ-UHFFFAOYSA-N
XLogP4.83
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.83
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-methyl-2-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-methyl-2-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine (CID 56952095) is 2-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-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-methyl-2-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-methyl-2-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine is Cc1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The InChIKey is IBQBRCUPYVRJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN6OS/c1-12-11-16(28-21(25-12)29-7-9-30-10-8-29)27-19-18-15(5-6-24-19)26-20(31-18)17-13(22)3-2-4-14(17)23/h2-6,11H,7-10H2,1H3,(H,24,25,27,28).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
2-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine has a molecular weight of 456.93 g/mol, XLogP of 4.83, 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-methyl-2-morpholin-4-ylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine is sourced from PubChem (CID 56952095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).