N-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C9H14N4O2S2 — CID 2507674

IUPACN-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1nncs1
InChIInChI=1S/C9H14N4O2S2/c1-9(2,3)12-7(15)11-6(14)4-16-8-13-10-5-17-8/h5H,4H2,1-3H3,(H2,11,12,14,15)
InChIKeyJSLMZQRZYCLQAP-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.25
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 2507674) has the molecular formula C9H14N4O2S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID2507674
Molecular FormulaC9H14N4O2S2
Molecular Weight274.37 g/mol
Exact Mass274.06
IUPAC NameN-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1nncs1
InChIInChI=1S/C9H14N4O2S2/c1-9(2,3)12-7(15)11-6(14)4-16-8-13-10-5-17-8/h5H,4H2,1-3H3,(H2,11,12,14,15)
InChIKeyJSLMZQRZYCLQAP-UHFFFAOYSA-N
XLogP1.25
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 2507674) is N-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is CC(C)(C)NC(=O)NC(=O)CSc1nncs1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is JSLMZQRZYCLQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S2/c1-9(2,3)12-7(15)11-6(14)4-16-8-13-10-5-17-8/h5H,4H2,1-3H3,(H2,11,12,14,15).
What are the key properties of N-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 274.37 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2507674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).