1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine

C9H12ClN5S — CID 60696090

IUPAC1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCN(Cc1nnsc1Cl)Cc1nccn1C
InChIInChI=1S/C9H12ClN5S/c1-14(5-7-9(10)16-13-12-7)6-8-11-3-4-15(8)2/h3-4H,5-6H2,1-2H3
InChIKeyKQUMWVSGGWTPGV-UHFFFAOYSA-N
MW257.75 g/mol
LogP1.56
Rot. Bonds4

About 1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 60696090) has the molecular formula C9H12ClN5S and a molecular weight of 257.75 g/mol. Its IUPAC name is 1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID60696090
Molecular FormulaC9H12ClN5S
Molecular Weight257.75 g/mol
Exact Mass257.05
IUPAC Name1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCN(Cc1nnsc1Cl)Cc1nccn1C
InChIInChI=1S/C9H12ClN5S/c1-14(5-7-9(10)16-13-12-7)6-8-11-3-4-15(8)2/h3-4H,5-6H2,1-2H3
InChIKeyKQUMWVSGGWTPGV-UHFFFAOYSA-N
XLogP1.56
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine 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 1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 60696090) is 1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine is CN(Cc1nnsc1Cl)Cc1nccn1C.
What is the InChIKey of 1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is KQUMWVSGGWTPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5S/c1-14(5-7-9(10)16-13-12-7)6-8-11-3-4-15(8)2/h3-4H,5-6H2,1-2H3.
What are the key properties of 1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 257.75 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 60696090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).