2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide

C8H13FN4OS2 — CID 166399071

IUPAC2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide
SMILESCC(C)(C)Nc1nnc(SC(F)C(N)=O)s1
InChIInChI=1S/C8H13FN4OS2/c1-8(2,3)11-6-12-13-7(16-6)15-4(9)5(10)14/h4H,1-3H3,(H2,10,14)(H,11,12)
InChIKeyLSJASBPDHOISIH-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.62
Rot. Bonds4

About 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide

2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide (PubChem CID 166399071) has the molecular formula C8H13FN4OS2 and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide.

Molecular Properties

Compound Name2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide
PubChem CID166399071
Molecular FormulaC8H13FN4OS2
Molecular Weight264.35 g/mol
Exact Mass264.05
IUPAC Name2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide
SMILESCC(C)(C)Nc1nnc(SC(F)C(N)=O)s1
InChIInChI=1S/C8H13FN4OS2/c1-8(2,3)11-6-12-13-7(16-6)15-4(9)5(10)14/h4H,1-3H3,(H2,10,14)(H,11,12)
InChIKeyLSJASBPDHOISIH-UHFFFAOYSA-N
XLogP1.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide?
The IUPAC name of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide (CID 166399071) is 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide.
What is the SMILES notation for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide?
The canonical SMILES for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide is CC(C)(C)Nc1nnc(SC(F)C(N)=O)s1.
What is the InChIKey of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide?
The InChIKey is LSJASBPDHOISIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4OS2/c1-8(2,3)11-6-12-13-7(16-6)15-4(9)5(10)14/h4H,1-3H3,(H2,10,14)(H,11,12).
What are the key properties of 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide?
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide has a molecular weight of 264.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-fluoroacetamide is sourced from PubChem (CID 166399071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).