2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole

C6H7F3N2OS — CID 144946186

IUPAC2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole
SMILESCC(C)c1nnc(OC(F)(F)F)s1
InChIInChI=1S/C6H7F3N2OS/c1-3(2)4-10-11-5(13-4)12-6(7,8)9/h3H,1-2H3
InChIKeyHUCNARKKEYRCLQ-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.56
Rot. Bonds2

About 2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole

2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole (PubChem CID 144946186) has the molecular formula C6H7F3N2OS and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole
PubChem CID144946186
Molecular FormulaC6H7F3N2OS
Molecular Weight212.20 g/mol
Exact Mass212.02
IUPAC Name2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole
SMILESCC(C)c1nnc(OC(F)(F)F)s1
InChIInChI=1S/C6H7F3N2OS/c1-3(2)4-10-11-5(13-4)12-6(7,8)9/h3H,1-2H3
InChIKeyHUCNARKKEYRCLQ-UHFFFAOYSA-N
XLogP2.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole (CID 144946186) is 2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole is CC(C)c1nnc(OC(F)(F)F)s1.
What is the InChIKey of 2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole?
The InChIKey is HUCNARKKEYRCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS/c1-3(2)4-10-11-5(13-4)12-6(7,8)9/h3H,1-2H3.
What are the key properties of 2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole?
2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole has a molecular weight of 212.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 144946186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).