N-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

C19H22N4S — CID 165350274

IUPACN-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESc1cncc(C(CC2CCCCC2)Nc2nc3cccnc3s2)c1
InChIInChI=1S/C19H22N4S/c1-2-6-14(7-3-1)12-17(15-8-4-10-20-13-15)23-19-22-16-9-5-11-21-18(16)24-19/h4-5,8-11,13-14,17H,1-3,6-7,12H2,(H,22,23)
InChIKeyIUFRGNMDECVYBD-UHFFFAOYSA-N
MW338.48 g/mol
LogP5.21
Rot. Bonds5

About N-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 165350274) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID165350274
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC NameN-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESc1cncc(C(CC2CCCCC2)Nc2nc3cccnc3s2)c1
InChIInChI=1S/C19H22N4S/c1-2-6-14(7-3-1)12-17(15-8-4-10-20-13-15)23-19-22-16-9-5-11-21-18(16)24-19/h4-5,8-11,13-14,17H,1-3,6-7,12H2,(H,22,23)
InChIKeyIUFRGNMDECVYBD-UHFFFAOYSA-N
XLogP5.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 165350274) is N-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is c1cncc(C(CC2CCCCC2)Nc2nc3cccnc3s2)c1.
What is the InChIKey of N-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is IUFRGNMDECVYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-2-6-14(7-3-1)12-17(15-8-4-10-20-13-15)23-19-22-16-9-5-11-21-18(16)24-19/h4-5,8-11,13-14,17H,1-3,6-7,12H2,(H,22,23).
What are the key properties of N-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 338.48 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-1-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 165350274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).