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

C18H12ClFN4S — CID 56952318

IUPAC2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESCc1ccnc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)c1
InChIInChI=1S/C18H12ClFN4S/c1-10-5-7-21-14(9-10)24-17-16-13(6-8-22-17)23-18(25-16)15-11(19)3-2-4-12(15)20/h2-9H,1H3,(H,21,22,24)
InChIKeyREKKFIVMVJOPAV-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.60
Rot. Bonds3

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

2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine (PubChem CID 56952318) has the molecular formula C18H12ClFN4S and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
PubChem CID56952318
Molecular FormulaC18H12ClFN4S
Molecular Weight370.84 g/mol
Exact Mass370.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESCc1ccnc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)c1
InChIInChI=1S/C18H12ClFN4S/c1-10-5-7-21-14(9-10)24-17-16-13(6-8-22-17)23-18(25-16)15-11(19)3-2-4-12(15)20/h2-9H,1H3,(H,21,22,24)
InChIKeyREKKFIVMVJOPAV-UHFFFAOYSA-N
XLogP5.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine (CID 56952318) is 2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine is Cc1ccnc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The InChIKey is REKKFIVMVJOPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4S/c1-10-5-7-21-14(9-10)24-17-16-13(6-8-22-17)23-18(25-16)15-11(19)3-2-4-12(15)20/h2-9H,1H3,(H,21,22,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine has a molecular weight of 370.84 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine is sourced from PubChem (CID 56952318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).