N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

C14H14N4O2S2 — CID 29410733

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCCc1nnc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)s1
InChIInChI=1S/C14H14N4O2S2/c1-2-12-17-18-14(22-12)16-11(19)7-10-13(20)15-8-5-3-4-6-9(8)21-10/h3-6,10H,2,7H2,1H3,(H,15,20)(H,16,18,19)/t10-/m0/s1
InChIKeyBEYBYNQVIHRIJJ-JTQLQIEISA-N
MW334.43 g/mol
LogP2.54
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 29410733) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID29410733
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCCc1nnc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)s1
InChIInChI=1S/C14H14N4O2S2/c1-2-12-17-18-14(22-12)16-11(19)7-10-13(20)15-8-5-3-4-6-9(8)21-10/h3-6,10H,2,7H2,1H3,(H,15,20)(H,16,18,19)/t10-/m0/s1
InChIKeyBEYBYNQVIHRIJJ-JTQLQIEISA-N
XLogP2.54
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
N-(3-ethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51165804
N-(1-methylpyrazol-3-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 51537804
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 39948274
methyl 5-ethyl-2-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiophene-3-carboxylate
CID 1093106
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2960294
methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CID 2242136
N-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700800
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide
CID 11837209

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 29410733) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is CCc1nnc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is BEYBYNQVIHRIJJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-2-12-17-18-14(22-12)16-11(19)7-10-13(20)15-8-5-3-4-6-9(8)21-10/h3-6,10H,2,7H2,1H3,(H,15,20)(H,16,18,19)/t10-/m0/s1.
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 334.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 29410733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).