6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine

C23H23N5S — CID 88900367

IUPAC6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine
SMILESc1ccc(-c2ccc3nc(Nc4cccc(NC5CCCCC5)n4)sc3n2)cc1
InChIInChI=1S/C23H23N5S/c1-3-8-16(9-4-1)18-14-15-19-22(25-18)29-23(26-19)28-21-13-7-12-20(27-21)24-17-10-5-2-6-11-17/h1,3-4,7-9,12-15,17H,2,5-6,10-11H2,(H2,24,26,27,28)
InChIKeyCFYYFMSCKZRFEV-UHFFFAOYSA-N
MW401.54 g/mol
LogP6.24
Rot. Bonds5

About 6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine

6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine (PubChem CID 88900367) has the molecular formula C23H23N5S and a molecular weight of 401.54 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine
PubChem CID88900367
Molecular FormulaC23H23N5S
Molecular Weight401.54 g/mol
Exact Mass401.17
IUPAC Name6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine
SMILESc1ccc(-c2ccc3nc(Nc4cccc(NC5CCCCC5)n4)sc3n2)cc1
InChIInChI=1S/C23H23N5S/c1-3-8-16(9-4-1)18-14-15-19-22(25-18)29-23(26-19)28-21-13-7-12-20(27-21)24-17-10-5-2-6-11-17/h1,3-4,7-9,12-15,17H,2,5-6,10-11H2,(H2,24,26,27,28)
InChIKeyCFYYFMSCKZRFEV-UHFFFAOYSA-N
XLogP6.24
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine (CID 88900367) is 6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine is c1ccc(-c2ccc3nc(Nc4cccc(NC5CCCCC5)n4)sc3n2)cc1.
What is the InChIKey of 6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine?
The InChIKey is CFYYFMSCKZRFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S/c1-3-8-16(9-4-1)18-14-15-19-22(25-18)29-23(26-19)28-21-13-7-12-20(27-21)24-17-10-5-2-6-11-17/h1,3-4,7-9,12-15,17H,2,5-6,10-11H2,(H2,24,26,27,28).
What are the key properties of 6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine?
6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine has a molecular weight of 401.54 g/mol, XLogP of 6.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine is sourced from PubChem (CID 88900367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).