6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide

C19H19N3O3S — CID 71934139

IUPAC6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1nc2c(s1)CCCC2)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C19H19N3O3S/c23-18(12-7-8-13(22-19(12)24)15-5-3-11-25-15)20-10-9-17-21-14-4-1-2-6-16(14)26-17/h3,5,7-8,11H,1-2,4,6,9-10H2,(H,20,23)(H,22,24)
InChIKeyGTHTWEXEYQCRRX-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.94
Rot. Bonds5

About 6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide

6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 71934139) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID71934139
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1nc2c(s1)CCCC2)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C19H19N3O3S/c23-18(12-7-8-13(22-19(12)24)15-5-3-11-25-15)20-10-9-17-21-14-4-1-2-6-16(14)26-17/h3,5,7-8,11H,1-2,4,6,9-10H2,(H,20,23)(H,22,24)
InChIKeyGTHTWEXEYQCRRX-UHFFFAOYSA-N
XLogP2.94
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110461158
6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 119445716
6-(furan-2-yl)-N-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47459019
2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 51132681
N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119619648
N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 119495794
2-(1,3-benzodioxol-5-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 91769312
6-(furan-2-yl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95977413
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide
CID 110467175
2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide
CID 51135240
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]guanidine;hydroiodide
CID 110050931
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977473

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide (CID 71934139) is 6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide is O=C(NCCc1nc2c(s1)CCCC2)c1ccc(-c2ccco2)[nH]c1=O.
What is the InChIKey of 6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is GTHTWEXEYQCRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-18(12-7-8-13(22-19(12)24)15-5-3-11-25-15)20-10-9-17-21-14-4-1-2-6-16(14)26-17/h3,5,7-8,11H,1-2,4,6,9-10H2,(H,20,23)(H,22,24).
What are the key properties of 6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71934139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).