N-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide

C25H19N3O3S — CID 41055396

IUPACN-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
SMILESCCc1cccc2sc(N(Cc3ccccn3)C(=O)c3coc4ccccc4c3=O)nc12
InChIInChI=1S/C25H19N3O3S/c1-2-16-8-7-12-21-22(16)27-25(32-21)28(14-17-9-5-6-13-26-17)24(30)19-15-31-20-11-4-3-10-18(20)23(19)29/h3-13,15H,2,14H2,1H3
InChIKeyNXULXLPRRXWXIO-UHFFFAOYSA-N
MW441.51 g/mol
LogP5.21
Rot. Bonds5

About N-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide

N-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (PubChem CID 41055396) has the molecular formula C25H19N3O3S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
PubChem CID41055396
Molecular FormulaC25H19N3O3S
Molecular Weight441.51 g/mol
Exact Mass441.11
IUPAC NameN-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
SMILESCCc1cccc2sc(N(Cc3ccccn3)C(=O)c3coc4ccccc4c3=O)nc12
InChIInChI=1S/C25H19N3O3S/c1-2-16-8-7-12-21-22(16)27-25(32-21)28(14-17-9-5-6-13-26-17)24(30)19-15-31-20-11-4-3-10-18(20)23(19)29/h3-13,15H,2,14H2,1H3
InChIKeyNXULXLPRRXWXIO-UHFFFAOYSA-N
XLogP5.21
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 41055581
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-oxo-N-(pyridin-2-ylmethyl)benzo[f]chromene-2-carboxamide
CID 41055393
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide
CID 43987200
N-(4-ethyl-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide
CID 40697587
2,5-dichloro-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055381
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 41056222
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 40519152
4-(dimethylamino)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 40519158
N-(4-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 43987198
5-chloro-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 40698059
4-tert-butyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055400
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
CID 41055349

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (CID 41055396) is N-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for N-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is CCc1cccc2sc(N(Cc3ccccn3)C(=O)c3coc4ccccc4c3=O)nc12.
What is the InChIKey of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is NXULXLPRRXWXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3S/c1-2-16-8-7-12-21-22(16)27-25(32-21)28(14-17-9-5-6-13-26-17)24(30)19-15-31-20-11-4-3-10-18(20)23(19)29/h3-13,15H,2,14H2,1H3.
What are the key properties of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 41055396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).