N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide

C17H13N3OS — CID 848058

IUPACN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccnc1
InChIInChI=1S/C17H13N3OS/c21-16(12-5-3-9-18-10-12)20-17-19-15-13-6-2-1-4-11(13)7-8-14(15)22-17/h1-6,9-10H,7-8H2,(H,19,20,21)
InChIKeyWLGOQGKAYJHJQI-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.56
Rot. Bonds2

About N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide

N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 848058) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID848058
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC NameN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccnc1
InChIInChI=1S/C17H13N3OS/c21-16(12-5-3-9-18-10-12)20-17-19-15-13-6-2-1-4-11(13)7-8-14(15)22-17/h1-6,9-10H,7-8H2,(H,19,20,21)
InChIKeyWLGOQGKAYJHJQI-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 8915211
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565109
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylcarbamothioyl)benzamide
CID 2324546
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-ethylsulfanylbenzamide
CID 8670021
2-amino-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
CID 39177725
2-amino-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide
CID 74077421
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-3-carboxamide
CID 170421226
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 16831192
4-[benzyl(propan-2-yl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 16833532
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 3589805
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380
N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide
CID 71602626

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide (CID 848058) is N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccnc1.
What is the InChIKey of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is WLGOQGKAYJHJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-16(12-5-3-9-18-10-12)20-17-19-15-13-6-2-1-4-11(13)7-8-14(15)22-17/h1-6,9-10H,7-8H2,(H,19,20,21).
What are the key properties of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide?
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 848058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).