2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid

C16H13N3O4S — CID 166127549

IUPAC2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid
SMILESCCOc1cc(C(=O)Nc2nc3cc(C(=O)O)ccc3s2)ccn1
InChIInChI=1S/C16H13N3O4S/c1-2-23-13-8-9(5-6-17-13)14(20)19-16-18-11-7-10(15(21)22)3-4-12(11)24-16/h3-8H,2H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyUPKXVHBWVBLCLD-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.04
Rot. Bonds5

About 2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid

2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid (PubChem CID 166127549) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid
PubChem CID166127549
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid
SMILESCCOc1cc(C(=O)Nc2nc3cc(C(=O)O)ccc3s2)ccn1
InChIInChI=1S/C16H13N3O4S/c1-2-23-13-8-9(5-6-17-13)14(20)19-16-18-11-7-10(15(21)22)3-4-12(11)24-16/h3-8H,2H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyUPKXVHBWVBLCLD-UHFFFAOYSA-N
XLogP3.04
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-1,3-benzothiazole-5-carboxylic acid
CID 18377605
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-6-ethoxypyridine-3-carboxamide
CID 47047868
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491
N-(1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide
CID 9391634
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
CID 7543004
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 4233786
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide
CID 86967497
N-(5-ethoxy-1,3-benzothiazol-2-yl)-3-oxobutanamide
CID 3630759

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid?
The IUPAC name of 2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid (CID 166127549) is 2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid is CCOc1cc(C(=O)Nc2nc3cc(C(=O)O)ccc3s2)ccn1.
What is the InChIKey of 2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid?
The InChIKey is UPKXVHBWVBLCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c1-2-23-13-8-9(5-6-17-13)14(20)19-16-18-11-7-10(15(21)22)3-4-12(11)24-16/h3-8H,2H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid?
2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid has a molecular weight of 343.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxypyridine-4-carbonyl)amino]-1,3-benzothiazole-5-carboxylic acid is sourced from PubChem (CID 166127549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).