2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide

C17H20N4O2S2 — CID 18195955

IUPAC2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)CN2C(=O)CSc3ccccc32)s1
InChIInChI=1S/C17H20N4O2S2/c1-2-3-4-9-15-19-20-17(25-15)18-14(22)10-21-12-7-5-6-8-13(12)24-11-16(21)23/h5-8H,2-4,9-11H2,1H3,(H,18,20,22)
InChIKeyZWKCSRZMDUIXFB-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.35
Rot. Bonds7

About 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide

2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 18195955) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID18195955
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)CN2C(=O)CSc3ccccc32)s1
InChIInChI=1S/C17H20N4O2S2/c1-2-3-4-9-15-19-20-17(25-15)18-14(22)10-21-12-7-5-6-8-13(12)24-11-16(21)23/h5-8H,2-4,9-11H2,1H3,(H,18,20,22)
InChIKeyZWKCSRZMDUIXFB-UHFFFAOYSA-N
XLogP3.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 43953611
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 43953612
N-(5-methyl-2-pyridinyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18106820
N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31036968
2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide
CID 18162798
N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195793
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 51195953
N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119665475
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (CID 18195955) is 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCCc1nnc(NC(=O)CN2C(=O)CSc3ccccc32)s1.
What is the InChIKey of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ZWKCSRZMDUIXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-2-3-4-9-15-19-20-17(25-15)18-14(22)10-21-12-7-5-6-8-13(12)24-11-16(21)23/h5-8H,2-4,9-11H2,1H3,(H,18,20,22).
What are the key properties of 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 376.51 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 18195955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).