2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

C13H13N5O3S — CID 72720012

IUPAC2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
SMILESO=C(Cn1ncccc1=O)Nc1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C13H13N5O3S/c19-9(7-18-10(20)4-2-6-15-18)17-13-16-8-3-1-5-14-12(21)11(8)22-13/h2,4,6H,1,3,5,7H2,(H,14,21)(H,16,17,19)
InChIKeyAXRNGOPPDAVSDF-UHFFFAOYSA-N
MW319.35 g/mol
LogP0.01
Rot. Bonds3

About 2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide (PubChem CID 72720012) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
PubChem CID72720012
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC Name2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
SMILESO=C(Cn1ncccc1=O)Nc1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C13H13N5O3S/c19-9(7-18-10(20)4-2-6-15-18)17-13-16-8-3-1-5-14-12(21)11(8)22-13/h2,4,6H,1,3,5,7H2,(H,14,21)(H,16,17,19)
InChIKeyAXRNGOPPDAVSDF-UHFFFAOYSA-N
XLogP0.01
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-Oxo-5,6,7,8-tetrahydro-4H-(1,3)thiazolo(5,4-C)azepin-2-YL)acetamide
CID 739358
1-methyl-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-4H-thiazolo[5,4-c]azepin-2-yl)-1,2-dihydropyridine-3-carboxamide
CID 72719962
3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-oxo-5,6,7,8-tetrahydro-4H-thiazolo[5,4-c]azepin-2-yl)propanamide
CID 72719968
2-(N-methylmethylsulfonamido)-N-(4-oxo-5,6,7,8-tetrahydro-4H-thiazolo[5,4-c]azepin-2-yl)acetamide
CID 72719999
2-(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)-N-(4-oxo-5,6,7,8-tetrahydro-4H-thiazolo[5,4-c]azepin-2-yl)acetamide
CID 72720002
3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-4H-thiazolo[5,4-c]azepin-2-yl)but-2-enamide
CID 72720004
2,6-dioxo-N-(4-oxo-5,6,7,8-tetrahydro-4H-thiazolo[5,4-c]azepin-2-yl)-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 72720005
5-chloro-6-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-4H-thiazolo[5,4-c]azepin-2-yl)nicotinamide
CID 72720022
N-(4-oxo-3-thia-1,5-diaza-5,6,7,8-tetrahydro-4H-azulen-2-yl)-(S)-5-oxo-2-pyrrolidinecarboxamide
CID 97428929
N-(4-oxo-3-thia-1,5-diaza-5,6,7,8-tetrahydro-4H-azulen-2-yl)-(S)-3-cyclohexene-1-carboxamide
CID 99903641
3,3,3-trifluoro-N-(4-oxo-5,6,7,8-tetrahydro-4H-thiazolo[5,4-c]azepin-2-yl)propanamide
CID 72720020
4,4,4-trifluoro-N-(4-oxo-5,6,7,8-tetrahydro-4H-thiazolo[5,4-c]azepin-2-yl)butanamide
CID 90625515

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The IUPAC name of 2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide (CID 72720012) is 2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide.
What is the SMILES notation for 2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The canonical SMILES for 2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide is O=C(Cn1ncccc1=O)Nc1nc2c(s1)C(=O)NCCC2.
What is the InChIKey of 2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The InChIKey is AXRNGOPPDAVSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c19-9(7-18-10(20)4-2-6-15-18)17-13-16-8-3-1-5-14-12(21)11(8)22-13/h2,4,6H,1,3,5,7H2,(H,14,21)(H,16,17,19).
What are the key properties of 2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide has a molecular weight of 319.35 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxopyridazin-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide is sourced from PubChem (CID 72720012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).