N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine

C24H20N6OS — CID 129033207

IUPACN-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine
SMILESCOc1cc(CNc2nsc(-c3ccc4ncccc4c3)n2)cnc1-c1ccnc(C)c1
InChIInChI=1S/C24H20N6OS/c1-15-10-18(7-9-25-15)22-21(31-2)11-16(13-27-22)14-28-24-29-23(32-30-24)19-5-6-20-17(12-19)4-3-8-26-20/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyAMUIWYCJJKEUHY-UHFFFAOYSA-N
MW440.53 g/mol
LogP5.14
Rot. Bonds6

About N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine

N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine (PubChem CID 129033207) has the molecular formula C24H20N6OS and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound NameN-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine
PubChem CID129033207
Molecular FormulaC24H20N6OS
Molecular Weight440.53 g/mol
Exact Mass440.14
IUPAC NameN-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine
SMILESCOc1cc(CNc2nsc(-c3ccc4ncccc4c3)n2)cnc1-c1ccnc(C)c1
InChIInChI=1S/C24H20N6OS/c1-15-10-18(7-9-25-15)22-21(31-2)11-16(13-27-22)14-28-24-29-23(32-30-24)19-5-6-20-17(12-19)4-3-8-26-20/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyAMUIWYCJJKEUHY-UHFFFAOYSA-N
XLogP5.14
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine?
The IUPAC name of N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine (CID 129033207) is N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine is COc1cc(CNc2nsc(-c3ccc4ncccc4c3)n2)cnc1-c1ccnc(C)c1.
What is the InChIKey of N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine?
The InChIKey is AMUIWYCJJKEUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6OS/c1-15-10-18(7-9-25-15)22-21(31-2)11-16(13-27-22)14-28-24-29-23(32-30-24)19-5-6-20-17(12-19)4-3-8-26-20/h3-13H,14H2,1-2H3,(H,28,30).
What are the key properties of N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine?
N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine has a molecular weight of 440.53 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 129033207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).