N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide

C12H9N5O2S — CID 71795732

IUPACN-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3nsnc3c2)ncn1
InChIInChI=1S/C12H9N5O2S/c1-19-11-5-10(13-6-14-11)15-12(18)7-2-3-8-9(4-7)17-20-16-8/h2-6H,1H3,(H,13,14,15,18)
InChIKeyMKULWGQBRPDPDQ-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.74
Rot. Bonds3

About N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide

N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 71795732) has the molecular formula C12H9N5O2S and a molecular weight of 287.30 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID71795732
Molecular FormulaC12H9N5O2S
Molecular Weight287.30 g/mol
Exact Mass287.05
IUPAC NameN-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3nsnc3c2)ncn1
InChIInChI=1S/C12H9N5O2S/c1-19-11-5-10(13-6-14-11)15-12(18)7-2-3-8-9(4-7)17-20-16-8/h2-6H,1H3,(H,13,14,15,18)
InChIKeyMKULWGQBRPDPDQ-UHFFFAOYSA-N
XLogP1.74
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-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

Related Compounds

N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 90544561
methyl 4-(2,1,3-benzothiadiazole-5-carbonylamino)-3-methoxybenzoate
CID 122150755
N-(4-acetamidophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 2037551
N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 156586208
N-phenyl-2,1,3-benzothiadiazole-5-carboxamide
CID 684852
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122290573
N-(6-methoxypyrimidin-4-yl)-6-methylpyridine-2-carboxamide
CID 154805805
N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274164
N-[(6-methylpyrimidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122263384
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 35570127
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122286994
4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3917847

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide (CID 71795732) is N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide is COc1cc(NC(=O)c2ccc3nsnc3c2)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is MKULWGQBRPDPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2S/c1-19-11-5-10(13-6-14-11)15-12(18)7-2-3-8-9(4-7)17-20-16-8/h2-6H,1H3,(H,13,14,15,18).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide?
N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 287.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 71795732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).