N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide

C13H11N5O2S — CID 121167615

IUPACN-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2cccc3nsnc23)ncn1
InChIInChI=1S/C13H11N5O2S/c1-2-20-11-6-10(14-7-15-11)13(19)16-8-4-3-5-9-12(8)18-21-17-9/h3-7H,2H2,1H3,(H,16,19)
InChIKeyCAMOAMXEOLLRLG-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.13
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide (PubChem CID 121167615) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide
PubChem CID121167615
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2cccc3nsnc23)ncn1
InChIInChI=1S/C13H11N5O2S/c1-2-20-11-6-10(14-7-15-11)13(19)16-8-4-3-5-9-12(8)18-21-17-9/h3-7H,2H2,1H3,(H,16,19)
InChIKeyCAMOAMXEOLLRLG-UHFFFAOYSA-N
XLogP2.13
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167627
N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide
CID 4590084
N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167671
6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 91816253
ethyl 2-[(6-ethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167557
N-(2,1,3-benzothiadiazol-4-yl)-6-methoxypyridazine-3-carboxamide
CID 90509394
N-(2,1,3-benzothiadiazol-4-yl)-3,5-dipropoxybenzamide
CID 2272136
6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 121167635
N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide
CID 91816313
N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide
CID 91816283
6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 121167580
N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573690

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide (CID 121167615) is N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide is CCOc1cc(C(=O)Nc2cccc3nsnc23)ncn1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide?
The InChIKey is CAMOAMXEOLLRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c1-2-20-11-6-10(14-7-15-11)13(19)16-8-4-3-5-9-12(8)18-21-17-9/h3-7H,2H2,1H3,(H,16,19).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 121167615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).