4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine

C25H21N5OS2 — CID 16661158

IUPAC4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(SCc3ccccn3)cc2OCc2cccc3cccnc23)n1
InChIInChI=1S/C25H21N5OS2/c1-17-15-33-25(29-17)30-24-22(12-21(13-28-24)32-16-20-9-2-3-10-26-20)31-14-19-7-4-6-18-8-5-11-27-23(18)19/h2-13,15H,14,16H2,1H3,(H,28,29,30)
InChIKeyFPSAFYYAZNPBJH-UHFFFAOYSA-N
MW471.61 g/mol
LogP6.40
Rot. Bonds8

About 4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine

4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 16661158) has the molecular formula C25H21N5OS2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID16661158
Molecular FormulaC25H21N5OS2
Molecular Weight471.61 g/mol
Exact Mass471.12
IUPAC Name4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(SCc3ccccn3)cc2OCc2cccc3cccnc23)n1
InChIInChI=1S/C25H21N5OS2/c1-17-15-33-25(29-17)30-24-22(12-21(13-28-24)32-16-20-9-2-3-10-26-20)31-14-19-7-4-6-18-8-5-11-27-23(18)19/h2-13,15H,14,16H2,1H3,(H,28,29,30)
InChIKeyFPSAFYYAZNPBJH-UHFFFAOYSA-N
XLogP6.40
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.61
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-{3-(Aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
CID 146025978
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
3-(benzyloxy)-5-(benzylthio)-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16660174
3-(benzyloxy)-N-(4-methylthiazol-2-yl)-5-(pyridin-2-ylmethylthio)pyridin-2-amine
CID 16660507
4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 16660671
4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765183
4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765540
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
4-cyclopropyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742580
4-ethyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742610
4-cyclohexyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742658

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine (CID 16661158) is 4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(SCc3ccccn3)cc2OCc2cccc3cccnc23)n1.
What is the InChIKey of 4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is FPSAFYYAZNPBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5OS2/c1-17-15-33-25(29-17)30-24-22(12-21(13-28-24)32-16-20-9-2-3-10-26-20)31-14-19-7-4-6-18-8-5-11-27-23(18)19/h2-13,15H,14,16H2,1H3,(H,28,29,30).
What are the key properties of 4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 471.61 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(pyridin-2-ylmethylsulfanyl)-3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 16661158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).