N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide

C17H14N4O5S — CID 126645529

IUPACN-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCOc1cnc2sc(CN3C(=O)COc4ccc(C(=O)NO)cc43)nc2c1
InChIInChI=1S/C17H14N4O5S/c1-25-10-5-11-17(18-6-10)27-14(19-11)7-21-12-4-9(16(23)20-24)2-3-13(12)26-8-15(21)22/h2-6,24H,7-8H2,1H3,(H,20,23)
InChIKeyCFBAFRXPMPYKQD-UHFFFAOYSA-N
MW386.39 g/mol
LogP1.74
Rot. Bonds4

About N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide

N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 126645529) has the molecular formula C17H14N4O5S and a molecular weight of 386.39 g/mol. Its IUPAC name is N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID126645529
Molecular FormulaC17H14N4O5S
Molecular Weight386.39 g/mol
Exact Mass386.07
IUPAC NameN-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCOc1cnc2sc(CN3C(=O)COc4ccc(C(=O)NO)cc43)nc2c1
InChIInChI=1S/C17H14N4O5S/c1-25-10-5-11-17(18-6-10)27-14(19-11)7-21-12-4-9(16(23)20-24)2-3-13(12)26-8-15(21)22/h2-6,24H,7-8H2,1H3,(H,20,23)
InChIKeyCFBAFRXPMPYKQD-UHFFFAOYSA-N
XLogP1.74
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide (CID 126645529) is N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide is COc1cnc2sc(CN3C(=O)COc4ccc(C(=O)NO)cc43)nc2c1.
What is the InChIKey of N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is CFBAFRXPMPYKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5S/c1-25-10-5-11-17(18-6-10)27-14(19-11)7-21-12-4-9(16(23)20-24)2-3-13(12)26-8-15(21)22/h2-6,24H,7-8H2,1H3,(H,20,23).
What are the key properties of N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 386.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 126645529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).