2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole

C6H7F3N2OS2 — CID 21394718

IUPAC2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCC(C)S(=O)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H7F3N2OS2/c1-3(2)14(12)5-11-10-4(13-5)6(7,8)9/h3H,1-2H3
InChIKeyGBNZTTHYAZKCMC-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.07
Rot. Bonds2

About 2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole

2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 21394718) has the molecular formula C6H7F3N2OS2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID21394718
Molecular FormulaC6H7F3N2OS2
Molecular Weight244.26 g/mol
Exact Mass244.00
IUPAC Name2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCC(C)S(=O)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H7F3N2OS2/c1-3(2)14(12)5-11-10-4(13-5)6(7,8)9/h3H,1-2H3
InChIKeyGBNZTTHYAZKCMC-UHFFFAOYSA-N
XLogP2.07
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 21394718) is 2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole is CC(C)S(=O)c1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is GBNZTTHYAZKCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS2/c1-3(2)14(12)5-11-10-4(13-5)6(7,8)9/h3H,1-2H3.
What are the key properties of 2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 244.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 21394718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).