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

C6H7F3N2OS — CID 144946119

IUPAC5-propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole
SMILESCC(C)c1nc(OC(F)(F)F)ns1
InChIInChI=1S/C6H7F3N2OS/c1-3(2)4-10-5(11-13-4)12-6(7,8)9/h3H,1-2H3
InChIKeyDVDRCQJJTNCQET-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.56
Rot. Bonds2

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

5-propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole (PubChem CID 144946119) has the molecular formula C6H7F3N2OS and a molecular weight of 212.20 g/mol. Its IUPAC name is 5-propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole
PubChem CID144946119
Molecular FormulaC6H7F3N2OS
Molecular Weight212.20 g/mol
Exact Mass212.02
IUPAC Name5-propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole
SMILESCC(C)c1nc(OC(F)(F)F)ns1
InChIInChI=1S/C6H7F3N2OS/c1-3(2)4-10-5(11-13-4)12-6(7,8)9/h3H,1-2H3
InChIKeyDVDRCQJJTNCQET-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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Related Compounds

5-Propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 59300522
5-Ethyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 68235669
3-Propyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 91804931
5-Methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole
CID 118466186
5-Methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole
CID 135170702
5-Methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
CID 135170703
3-Propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole
CID 144946124
5-Tert-butyl-3-fluoro-1,2,4-thiadiazole
CID 146378409
5-Ethyl-3-methoxy-1,2,4-thiadiazole
CID 118152555
3-Chloro-5-(propan-2-yl)-1,2,4-thiadiazole
CID 121023533
3-Iodo-5-propan-2-yl-1,2,4-thiadiazole
CID 121604045
3-Methoxy-5-propan-2-yl-1,2,4-thiadiazole
CID 134442994

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole?
The IUPAC name of 5-propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole (CID 144946119) is 5-propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 5-propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole?
The canonical SMILES for 5-propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole is CC(C)c1nc(OC(F)(F)F)ns1.
What is the InChIKey of 5-propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole?
The InChIKey is DVDRCQJJTNCQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS/c1-3(2)4-10-5(11-13-4)12-6(7,8)9/h3H,1-2H3.
What are the key properties of 5-propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole?
5-propan-2-yl-3-(trifluoromethoxy)-1,2,4-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 5-propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 144946119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).