N-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide

C19H15N3O2S — CID 134611695

IUPACN-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3Sc3cccnc32)cc1
InChIInChI=1S/C19H15N3O2S/c23-19(21-24)14-9-7-13(8-10-14)12-22-15-4-1-2-5-16(15)25-17-6-3-11-20-18(17)22/h1-11,24H,12H2,(H,21,23)
InChIKeyPBCHBJALYWYEAP-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.00
Rot. Bonds3

About N-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide

N-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide (PubChem CID 134611695) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide
PubChem CID134611695
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3Sc3cccnc32)cc1
InChIInChI=1S/C19H15N3O2S/c23-19(21-24)14-9-7-13(8-10-14)12-22-15-4-1-2-5-16(15)25-17-6-3-11-20-18(17)22/h1-11,24H,12H2,(H,21,23)
InChIKeyPBCHBJALYWYEAP-UHFFFAOYSA-N
XLogP4.00
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide?
The IUPAC name of N-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide (CID 134611695) is N-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide.
What is the SMILES notation for N-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide?
The canonical SMILES for N-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide is O=C(NO)c1ccc(CN2c3ccccc3Sc3cccnc32)cc1.
What is the InChIKey of N-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide?
The InChIKey is PBCHBJALYWYEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-19(21-24)14-9-7-13(8-10-14)12-22-15-4-1-2-5-16(15)25-17-6-3-11-20-18(17)22/h1-11,24H,12H2,(H,21,23).
What are the key properties of N-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide?
N-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide has a molecular weight of 349.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzamide is sourced from PubChem (CID 134611695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).