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

C15H14N4O2S2 — CID 29412229

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESO=C(C[C@H]1Sc2ccccc2NC1=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H14N4O2S2/c20-12(17-15-19-18-14(23-15)8-5-6-8)7-11-13(21)16-9-3-1-2-4-10(9)22-11/h1-4,8,11H,5-7H2,(H,16,21)(H,17,19,20)/t11-/m1/s1
InChIKeyXDYYSHHWVDVSBY-LLVKDONJSA-N
MW346.44 g/mol
LogP2.86
Rot. Bonds4

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 29412229) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID29412229
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESO=C(C[C@H]1Sc2ccccc2NC1=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H14N4O2S2/c20-12(17-15-19-18-14(23-15)8-5-6-8)7-11-13(21)16-9-3-1-2-4-10(9)22-11/h1-4,8,11H,5-7H2,(H,16,21)(H,17,19,20)/t11-/m1/s1
InChIKeyXDYYSHHWVDVSBY-LLVKDONJSA-N
XLogP2.86
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 29410733
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 47078473
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700634
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 39948274
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26011624
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide
CID 11837212
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4779894
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 693708
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 29412229) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is XDYYSHHWVDVSBY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c20-12(17-15-19-18-14(23-15)8-5-6-8)7-11-13(21)16-9-3-1-2-4-10(9)22-11/h1-4,8,11H,5-7H2,(H,16,21)(H,17,19,20)/t11-/m1/s1.
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 29412229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).