N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C15H16N4O2S2 — CID 6484286

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCC(C)(C)c1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1
InChIInChI=1S/C15H16N4O2S2/c1-15(2,3)12-17-18-13(23-12)16-11(20)8-19-9-6-4-5-7-10(9)22-14(19)21/h4-7H,8H2,1-3H3,(H,16,18,20)
InChIKeyOXQFKWZONJIRGU-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.85
Rot. Bonds3

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 6484286) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID6484286
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCC(C)(C)c1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1
InChIInChI=1S/C15H16N4O2S2/c1-15(2,3)12-17-18-13(23-12)16-11(20)8-19-9-6-4-5-7-10(9)22-14(19)21/h4-7H,8H2,1-3H3,(H,16,18,20)
InChIKeyOXQFKWZONJIRGU-UHFFFAOYSA-N
XLogP2.85
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 6484286) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is CC(C)(C)c1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is OXQFKWZONJIRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-15(2,3)12-17-18-13(23-12)16-11(20)8-19-9-6-4-5-7-10(9)22-14(19)21/h4-7H,8H2,1-3H3,(H,16,18,20).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 348.45 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 6484286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).