3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

C13H11N5OS — CID 18138512

IUPAC3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cccc2sc(NC(=O)c3nccnc3N)nc12
InChIInChI=1S/C13H11N5OS/c1-7-3-2-4-8-9(7)17-13(20-8)18-12(19)10-11(14)16-6-5-15-10/h2-6H,1H3,(H2,14,16)(H,17,18,19)
InChIKeyZRGBMHPTUWWBRE-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.23
Rot. Bonds2

About 3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (PubChem CID 18138512) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
PubChem CID18138512
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cccc2sc(NC(=O)c3nccnc3N)nc12
InChIInChI=1S/C13H11N5OS/c1-7-3-2-4-8-9(7)17-13(20-8)18-12(19)10-11(14)16-6-5-15-10/h2-6H,1H3,(H2,14,16)(H,17,18,19)
InChIKeyZRGBMHPTUWWBRE-UHFFFAOYSA-N
XLogP2.23
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 34555190
5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 47293501
N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide
CID 24594441
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564360
methyl 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952216
2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide
CID 35871795
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 167869882
(E)-N-(4-methyl-1,3-benzothiazol-2-yl)but-2-enamide
CID 110459733

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (CID 18138512) is 3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is Cc1cccc2sc(NC(=O)c3nccnc3N)nc12.
What is the InChIKey of 3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is ZRGBMHPTUWWBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c1-7-3-2-4-8-9(7)17-13(20-8)18-12(19)10-11(14)16-6-5-15-10/h2-6H,1H3,(H2,14,16)(H,17,18,19).
What are the key properties of 3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 18138512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).