2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide

C9H15N5O2S2 — CID 2467380

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C9H15N5O2S2/c1-9(2,3)12-7(16)11-5(15)4-17-8-14-13-6(10)18-8/h4H2,1-3H3,(H2,10,13)(H2,11,12,15,16)
InChIKeyBLXQEKRNXRCLCE-UHFFFAOYSA-N
MW289.39 g/mol
LogP0.84
Rot. Bonds3

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide (PubChem CID 2467380) has the molecular formula C9H15N5O2S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
PubChem CID2467380
Molecular FormulaC9H15N5O2S2
Molecular Weight289.39 g/mol
Exact Mass289.07
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C9H15N5O2S2/c1-9(2,3)12-7(16)11-5(15)4-17-8-14-13-6(10)18-8/h4H2,1-3H3,(H2,10,13)(H2,11,12,15,16)
InChIKeyBLXQEKRNXRCLCE-UHFFFAOYSA-N
XLogP0.84
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide (CID 2467380) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide is CC(C)(C)NC(=O)NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is BLXQEKRNXRCLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S2/c1-9(2,3)12-7(16)11-5(15)4-17-8-14-13-6(10)18-8/h4H2,1-3H3,(H2,10,13)(H2,11,12,15,16).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 289.39 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 2467380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).