5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C90H80Cl3F2N25S5 — CID 161336606

IUPAC5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3ccc(Cl)cc3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3cccc(Cl)c3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3cccc(F)c3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)c3nncn3c2)s1
InChIInChI=1S/3C18H16ClN5S.2C18H16FN5S/c1-11(2)22-18-20-8-16(25-18)13-7-15(12-3-5-14(19)6-4-12)17-23-21-10-24(17)9-13;1-11(2)22-18-20-8-16(25-18)13-7-15(12-4-3-5-14(19)6-12)17-23-21-10-24(17)9-13;1-11(2)22-18-20-8-16(25-18)12-7-14(13-5-3-4-6-15(13)19)17-23-21-10-24(17)9-12;1-11(2)22-18-20-8-16(25-18)13-7-15(12-3-5-14(19)6-4-12)17-23-21-10-24(17)9-13;1-11(2)22-18-20-8-16(25-18)13-7-15(12-4-3-5-14(19)6-12)17-23-21-10-24(17)9-13/h5*3-11H,1-2H3,(H,20,22)
InChIKeyVMCOXYUDDAHOOC-UHFFFAOYSA-N
MW1816.49 g/mol
LogP23.94
Rot. Bonds20

About 5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine

5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 161336606) has the molecular formula C90H80Cl3F2N25S5 and a molecular weight of 1816.49 g/mol. Its IUPAC name is 5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID161336606
Molecular FormulaC90H80Cl3F2N25S5
Molecular Weight1816.49 g/mol
Exact Mass1813.47
IUPAC Name5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3ccc(Cl)cc3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3cccc(Cl)c3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3cccc(F)c3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)c3nncn3c2)s1
InChIInChI=1S/3C18H16ClN5S.2C18H16FN5S/c1-11(2)22-18-20-8-16(25-18)13-7-15(12-3-5-14(19)6-4-12)17-23-21-10-24(17)9-13;1-11(2)22-18-20-8-16(25-18)13-7-15(12-4-3-5-14(19)6-12)17-23-21-10-24(17)9-13;1-11(2)22-18-20-8-16(25-18)12-7-14(13-5-3-4-6-15(13)19)17-23-21-10-24(17)9-12;1-11(2)22-18-20-8-16(25-18)13-7-15(12-3-5-14(19)6-4-12)17-23-21-10-24(17)9-13;1-11(2)22-18-20-8-16(25-18)13-7-15(12-4-3-5-14(19)6-12)17-23-21-10-24(17)9-13/h5*3-11H,1-2H3,(H,20,22)
InChIKeyVMCOXYUDDAHOOC-UHFFFAOYSA-N
XLogP23.94
TPSA275.55 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms125
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001816.49
LogP ≤ 523.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 161336606) is 5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1ncc(-c2cc(-c3ccc(Cl)cc3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3cccc(Cl)c3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3cccc(F)c3)c3nncn3c2)s1.CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)c3nncn3c2)s1.
What is the InChIKey of 5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is VMCOXYUDDAHOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H16ClN5S.2C18H16FN5S/c1-11(2)22-18-20-8-16(25-18)13-7-15(12-3-5-14(19)6-4-12)17-23-21-10-24(17)9-13;1-11(2)22-18-20-8-16(25-18)13-7-15(12-4-3-5-14(19)6-12)17-23-21-10-24(17)9-13;1-11(2)22-18-20-8-16(25-18)12-7-14(13-5-3-4-6-15(13)19)17-23-21-10-24(17)9-12;1-11(2)22-18-20-8-16(25-18)13-7-15(12-3-5-14(19)6-4-12)17-23-21-10-24(17)9-13;1-11(2)22-18-20-8-16(25-18)13-7-15(12-4-3-5-14(19)6-12)17-23-21-10-24(17)9-13/h5*3-11H,1-2H3,(H,20,22).
What are the key properties of 5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 1816.49 g/mol, XLogP of 23.94, 20 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 161336606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).