2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide

C17H17N3O4S — CID 4787467

IUPAC2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CC2Sc3ccccc3NC2=O)c(C)o1
InChIInChI=1S/C17H17N3O4S/c1-9-7-11(10(2)24-9)16(22)20-19-15(21)8-14-17(23)18-12-5-3-4-6-13(12)25-14/h3-7,14H,8H2,1-2H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyWWCNOTHCYIMBOT-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.16
Rot. Bonds3

About 2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide (PubChem CID 4787467) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide
PubChem CID4787467
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CC2Sc3ccccc3NC2=O)c(C)o1
InChIInChI=1S/C17H17N3O4S/c1-9-7-11(10(2)24-9)16(22)20-19-15(21)8-14-17(23)18-12-5-3-4-6-13(12)25-14/h3-7,14H,8H2,1-2H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyWWCNOTHCYIMBOT-UHFFFAOYSA-N
XLogP2.16
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide with MolForge

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Related Compounds

N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide
CID 9470831
N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]-3,5-bis(trifluoromethyl)benzohydrazide
CID 2820248
N-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700800
1-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-3-phenylurea
CID 2820270
methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 718690
N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9211933
methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CID 2242136
2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide
CID 51134753
N-(3-chloro-4-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4116869
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide
CID 9227408
N-[2-(dimethylamino)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40591425

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide (CID 4787467) is 2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)CC2Sc3ccccc3NC2=O)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide?
The InChIKey is WWCNOTHCYIMBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-9-7-11(10(2)24-9)16(22)20-19-15(21)8-14-17(23)18-12-5-3-4-6-13(12)25-14/h3-7,14H,8H2,1-2H3,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of 2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide has a molecular weight of 359.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]furan-3-carbohydrazide is sourced from PubChem (CID 4787467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).