N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide

C15H12N6OS — CID 74238358

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)c1cn2cccnc2n1
InChIInChI=1S/C15H12N6OS/c1-20(8-10-3-4-11-12(7-10)19-23-18-11)14(22)13-9-21-6-2-5-16-15(21)17-13/h2-7,9H,8H2,1H3
InChIKeyKEVJPODPBBQGQM-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.01
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 74238358) has the molecular formula C15H12N6OS and a molecular weight of 324.37 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID74238358
Molecular FormulaC15H12N6OS
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)c1cn2cccnc2n1
InChIInChI=1S/C15H12N6OS/c1-20(8-10-3-4-11-12(7-10)19-23-18-11)14(22)13-9-21-6-2-5-16-15(21)17-13/h2-7,9H,8H2,1H3
InChIKeyKEVJPODPBBQGQM-UHFFFAOYSA-N
XLogP2.01
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide 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 N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide (CID 74238358) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide is CN(Cc1ccc2nsnc2c1)C(=O)c1cn2cccnc2n1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is KEVJPODPBBQGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS/c1-20(8-10-3-4-11-12(7-10)19-23-18-11)14(22)13-9-21-6-2-5-16-15(21)17-13/h2-7,9H,8H2,1H3.
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 74238358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).