N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

C15H13N3O2S — CID 849590

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cccnc3)sc2c1
InChIInChI=1S/C15H13N3O2S/c1-2-20-11-5-6-12-13(8-11)21-15(17-12)18-14(19)10-4-3-7-16-9-10/h3-9H,2H2,1H3,(H,17,18,19)
InChIKeyYJBOFODASUMAHK-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.34
Rot. Bonds4

About N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 849590) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID849590
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cccnc3)sc2c1
InChIInChI=1S/C15H13N3O2S/c1-2-20-11-5-6-12-13(8-11)21-15(17-12)18-14(19)10-4-3-7-16-9-10/h3-9H,2H2,1H3,(H,17,18,19)
InChIKeyYJBOFODASUMAHK-UHFFFAOYSA-N
XLogP3.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10251893, Cpd 6
CID 46926811
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
CID 71460938
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)isonicotinamide
CID 56592910
N-(6-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032473
N-(6-methoxybenzo[d]thiazol-2-yl)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 16032494
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyridine-4-carboxamide
CID 2331328
5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
CID 71462648
5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 71462649

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 849590) is N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is CCOc1ccc2nc(NC(=O)c3cccnc3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is YJBOFODASUMAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-20-11-5-6-12-13(8-11)21-15(17-12)18-14(19)10-4-3-7-16-9-10/h3-9H,2H2,1H3,(H,17,18,19).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 849590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).