N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide

C16H15N3O3S — CID 30859011

IUPACN-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide
SMILESCCOc1cn(C)c(C(=O)Nc2nc3ccccc3s2)cc1=O
InChIInChI=1S/C16H15N3O3S/c1-3-22-13-9-19(2)11(8-12(13)20)15(21)18-16-17-10-6-4-5-7-14(10)23-16/h4-9H,3H2,1-2H3,(H,17,18,21)
InChIKeyJCVNURJOCDNXBB-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.65
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide

N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide (PubChem CID 30859011) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide
PubChem CID30859011
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide
SMILESCCOc1cn(C)c(C(=O)Nc2nc3ccccc3s2)cc1=O
InChIInChI=1S/C16H15N3O3S/c1-3-22-13-9-19(2)11(8-12(13)20)15(21)18-16-17-10-6-4-5-7-14(10)23-16/h4-9H,3H2,1-2H3,(H,17,18,21)
InChIKeyJCVNURJOCDNXBB-UHFFFAOYSA-N
XLogP2.65
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 4233786
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 110467037
N-(1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide
CID 9391634
N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide
CID 3475700
N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 16952689
N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-triethoxybenzamide
CID 1339348
N-(1,3-benzothiazol-2-yl)-1-methylindole-2-carboxamide
CID 52694546
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea
CID 86844358
N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 35294982
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 2271389

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide (CID 30859011) is N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide is CCOc1cn(C)c(C(=O)Nc2nc3ccccc3s2)cc1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide?
The InChIKey is JCVNURJOCDNXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-3-22-13-9-19(2)11(8-12(13)20)15(21)18-16-17-10-6-4-5-7-14(10)23-16/h4-9H,3H2,1-2H3,(H,17,18,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 30859011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).