4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine

C17H13N5S — CID 44571365

IUPAC4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(N)sc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C17H13N5S/c1-10-3-2-4-13(21-10)15-16(23-17(18)22-15)11-5-6-12-14(9-11)20-8-7-19-12/h2-9H,1H3,(H2,18,22)
InChIKeyCDWAWRXNIKGRMR-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.71
Rot. Bonds2

About 4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine

4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine (PubChem CID 44571365) has the molecular formula C17H13N5S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine
PubChem CID44571365
Molecular FormulaC17H13N5S
Molecular Weight319.39 g/mol
Exact Mass319.09
IUPAC Name4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(N)sc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C17H13N5S/c1-10-3-2-4-13(21-10)15-16(23-17(18)22-15)11-5-6-12-14(9-11)20-8-7-19-12/h2-9H,1H3,(H2,18,22)
InChIKeyCDWAWRXNIKGRMR-UHFFFAOYSA-N
XLogP3.71
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-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

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine (CID 44571365) is 4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine is Cc1cccc(-c2nc(N)sc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine?
The InChIKey is CDWAWRXNIKGRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S/c1-10-3-2-4-13(21-10)15-16(23-17(18)22-15)11-5-6-12-14(9-11)20-8-7-19-12/h2-9H,1H3,(H2,18,22).
What are the key properties of 4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine?
4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine has a molecular weight of 319.39 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 44571365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).