2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide

C19H16N6OS — CID 74247903

IUPAC2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)c1cnc(N)nc1-c1ccccc1
InChIInChI=1S/C19H16N6OS/c1-25(11-12-7-8-15-16(9-12)24-27-23-15)18(26)14-10-21-19(20)22-17(14)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,20,21,22)
InChIKeyHQHVCQKHWGYEKH-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.00
Rot. Bonds4

About 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide

2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide (PubChem CID 74247903) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide
PubChem CID74247903
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)c1cnc(N)nc1-c1ccccc1
InChIInChI=1S/C19H16N6OS/c1-25(11-12-7-8-15-16(9-12)24-27-23-15)18(26)14-10-21-19(20)22-17(14)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,20,21,22)
InChIKeyHQHVCQKHWGYEKH-UHFFFAOYSA-N
XLogP3.00
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-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 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide (CID 74247903) is 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide is CN(Cc1ccc2nsnc2c1)C(=O)c1cnc(N)nc1-c1ccccc1.
What is the InChIKey of 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide?
The InChIKey is HQHVCQKHWGYEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-25(11-12-7-8-15-16(9-12)24-27-23-15)18(26)14-10-21-19(20)22-17(14)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,20,21,22).
What are the key properties of 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide?
2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 74247903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).