N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H12N6O2S — CID 171315703

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3nc4ncccn4n3)sc2c1
InChIInChI=1S/C15H12N6O2S/c1-2-23-9-4-5-10-11(8-9)24-15(17-10)19-13(22)12-18-14-16-6-3-7-21(14)20-12/h3-8H,2H2,1H3,(H,17,19,22)
InChIKeyUMXHXPDXWSTSHK-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.38
Rot. Bonds4

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 171315703) has the molecular formula C15H12N6O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID171315703
Molecular FormulaC15H12N6O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3nc4ncccn4n3)sc2c1
InChIInChI=1S/C15H12N6O2S/c1-2-23-9-4-5-10-11(8-9)24-15(17-10)19-13(22)12-18-14-16-6-3-7-21(14)20-12/h3-8H,2H2,1H3,(H,17,19,22)
InChIKeyUMXHXPDXWSTSHK-UHFFFAOYSA-N
XLogP2.38
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 9124163
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
CID 3926238
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 8883299
3-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29096070
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 17026851
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 3704578

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 171315703) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCOc1ccc2nc(NC(=O)c3nc4ncccn4n3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UMXHXPDXWSTSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S/c1-2-23-9-4-5-10-11(8-9)24-15(17-10)19-13(22)12-18-14-16-6-3-7-21(14)20-12/h3-8H,2H2,1H3,(H,17,19,22).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 171315703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).