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

C7H5F3N6OS3 — CID 6499883

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESNc1nnc(SCC(=O)Nc2nnc(C(F)(F)F)s2)s1
InChIInChI=1S/C7H5F3N6OS3/c8-7(9,10)3-13-15-5(19-3)12-2(17)1-18-6-16-14-4(11)20-6/h1H2,(H2,11,14)(H,12,15,17)
InChIKeyFTNRMSPQVKTVAM-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.72
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 6499883) has the molecular formula C7H5F3N6OS3 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID6499883
Molecular FormulaC7H5F3N6OS3
Molecular Weight342.35 g/mol
Exact Mass341.96
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESNc1nnc(SCC(=O)Nc2nnc(C(F)(F)F)s2)s1
InChIInChI=1S/C7H5F3N6OS3/c8-7(9,10)3-13-15-5(19-3)12-2(17)1-18-6-16-14-4(11)20-6/h1H2,(H2,11,14)(H,12,15,17)
InChIKeyFTNRMSPQVKTVAM-UHFFFAOYSA-N
XLogP1.72
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 6499883) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is Nc1nnc(SCC(=O)Nc2nnc(C(F)(F)F)s2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is FTNRMSPQVKTVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N6OS3/c8-7(9,10)3-13-15-5(19-3)12-2(17)1-18-6-16-14-4(11)20-6/h1H2,(H2,11,14)(H,12,15,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 342.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 6499883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).