N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide

C19H17N5O3S — CID 130299326

IUPACN-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2ncc(Cc3ccccn3)s2)COc2cccnc21
InChIInChI=1S/C19H17N5O3S/c1-24-16-15(6-4-8-21-16)27-11-14(19(24)26)23-17(25)18-22-10-13(28-18)9-12-5-2-3-7-20-12/h2-8,10,14H,9,11H2,1H3,(H,23,25)
InChIKeyIMNFMFYFRADLJC-UHFFFAOYSA-N
MW395.44 g/mol
LogP1.68
Rot. Bonds4

About N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide

N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide (PubChem CID 130299326) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide
PubChem CID130299326
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC NameN-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2ncc(Cc3ccccn3)s2)COc2cccnc21
InChIInChI=1S/C19H17N5O3S/c1-24-16-15(6-4-8-21-16)27-11-14(19(24)26)23-17(25)18-22-10-13(28-18)9-12-5-2-3-7-20-12/h2-8,10,14H,9,11H2,1H3,(H,23,25)
InChIKeyIMNFMFYFRADLJC-UHFFFAOYSA-N
XLogP1.68
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 118715096
CID 130298931
CID 130298931
CID 130299215
CID 130299215
CID 130299261
CID 130299261
CID 130299278
CID 130299278
CID 130299324
CID 130299324
CID 130299364
CID 130299364
CID 130299438
CID 130299438

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide (CID 130299326) is N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide is CN1C(=O)C(NC(=O)c2ncc(Cc3ccccn3)s2)COc2cccnc21.
What is the InChIKey of N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is IMNFMFYFRADLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-24-16-15(6-4-8-21-16)27-11-14(19(24)26)23-17(25)18-22-10-13(28-18)9-12-5-2-3-7-20-12/h2-8,10,14H,9,11H2,1H3,(H,23,25).
What are the key properties of N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide?
N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 130299326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).