6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine

C15H20N4S — CID 79956764

IUPAC6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine
SMILESCc1nccn1-c1ccc(NC2CCCSC2C)cn1
InChIInChI=1S/C15H20N4S/c1-11-14(4-3-9-20-11)18-13-5-6-15(17-10-13)19-8-7-16-12(19)2/h5-8,10-11,14,18H,3-4,9H2,1-2H3
InChIKeyAKIAEZQZCXVLCS-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.27
Rot. Bonds3

About 6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine

6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine (PubChem CID 79956764) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine
PubChem CID79956764
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine
SMILESCc1nccn1-c1ccc(NC2CCCSC2C)cn1
InChIInChI=1S/C15H20N4S/c1-11-14(4-3-9-20-11)18-13-5-6-15(17-10-13)19-8-7-16-12(19)2/h5-8,10-11,14,18H,3-4,9H2,1-2H3
InChIKeyAKIAEZQZCXVLCS-UHFFFAOYSA-N
XLogP3.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-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 6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine?
The IUPAC name of 6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine (CID 79956764) is 6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine.
What is the SMILES notation for 6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine?
The canonical SMILES for 6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine is Cc1nccn1-c1ccc(NC2CCCSC2C)cn1.
What is the InChIKey of 6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine?
The InChIKey is AKIAEZQZCXVLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-11-14(4-3-9-20-11)18-13-5-6-15(17-10-13)19-8-7-16-12(19)2/h5-8,10-11,14,18H,3-4,9H2,1-2H3.
What are the key properties of 6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine?
6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine has a molecular weight of 288.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylimidazol-1-yl)-N-(2-methylthian-3-yl)pyridin-3-amine is sourced from PubChem (CID 79956764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).