6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide

C14H14N6OS — CID 131936695

IUPAC6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide
SMILESCN(C)C(=O)c1cncc(NCc2ccc3nsnc3c2)n1
InChIInChI=1S/C14H14N6OS/c1-20(2)14(21)12-7-15-8-13(17-12)16-6-9-3-4-10-11(5-9)19-22-18-10/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyMSJHMNRRCWMGAC-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.80
Rot. Bonds4

About 6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide

6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide (PubChem CID 131936695) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide
PubChem CID131936695
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide
SMILESCN(C)C(=O)c1cncc(NCc2ccc3nsnc3c2)n1
InChIInChI=1S/C14H14N6OS/c1-20(2)14(21)12-7-15-8-13(17-12)16-6-9-3-4-10-11(5-9)19-22-18-10/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyMSJHMNRRCWMGAC-UHFFFAOYSA-N
XLogP1.80
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(dimethylcarbamoylamino)acetamide
CID 131936663
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2,2,2-trifluoroacetamide
CID 59379604
N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 74238749
6-[2-(1-hydroxycyclopentyl)ethylamino]-N,N-dimethylpyrazine-2-carboxamide
CID 131918436
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74237063
N,N-dimethyl-6-[(1-methylpiperidin-2-yl)methylamino]pyrazine-2-carboxamide
CID 131906638
N-(2,1,3-benzothiadiazol-5-ylmethyl)-5-pyrrolidin-1-ylpyridin-2-amine
CID 167859881
6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 66456798
N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-cyclopropylpyrimidin-4-amine
CID 131941094
N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide
CID 135104961
6-[(3-nitrophenyl)methylamino]pyrazine-2-carboxylic acid
CID 66451490
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 74238358

Frequently Asked Questions

What is the IUPAC name of 6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide?
The IUPAC name of 6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide (CID 131936695) is 6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide is CN(C)C(=O)c1cncc(NCc2ccc3nsnc3c2)n1.
What is the InChIKey of 6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide?
The InChIKey is MSJHMNRRCWMGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-20(2)14(21)12-7-15-8-13(17-12)16-6-9-3-4-10-11(5-9)19-22-18-10/h3-5,7-8H,6H2,1-2H3,(H,16,17).
What are the key properties of 6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide?
6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,1,3-benzothiadiazol-5-ylmethylamino)-N,N-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 131936695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).