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

C6H7F3N2S2 — CID 144946175

IUPAC2-propan-2-yl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole
SMILESCC(C)c1nnc(SC(F)(F)F)s1
InChIInChI=1S/C6H7F3N2S2/c1-3(2)4-10-11-5(12-4)13-6(7,8)9/h3H,1-2H3
InChIKeyWLDDALHRLVBUGC-UHFFFAOYSA-N
MW228.26 g/mol
LogP3.27
Rot. Bonds2

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

2-propan-2-yl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole (PubChem CID 144946175) has the molecular formula C6H7F3N2S2 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-propan-2-yl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole
PubChem CID144946175
Molecular FormulaC6H7F3N2S2
Molecular Weight228.26 g/mol
Exact Mass228.00
IUPAC Name2-propan-2-yl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole
SMILESCC(C)c1nnc(SC(F)(F)F)s1
InChIInChI=1S/C6H7F3N2S2/c1-3(2)4-10-11-5(12-4)13-6(7,8)9/h3H,1-2H3
InChIKeyWLDDALHRLVBUGC-UHFFFAOYSA-N
XLogP3.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 14555343
2-Cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole
CID 14837633
2-Propylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 17868361
2-Propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 20605525
2-Fluoro-5-propan-2-yl-1,3,4-thiadiazole
CID 59664270
2-Tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 59734410
2-Ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 59964275
2-(1-Fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 70413398
2-(3-Fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 70413401
2-(1,1-Difluoroethyl)-5-methyl-1,3,4-thiadiazole
CID 89890720
2-Methyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole
CID 118466137
2-Propan-2-yl-5-(trifluoromethoxy)-1,3,4-thiadiazole
CID 144946186

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-propan-2-yl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole (CID 144946175) is 2-propan-2-yl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-propan-2-yl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-propan-2-yl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole is CC(C)c1nnc(SC(F)(F)F)s1.
What is the InChIKey of 2-propan-2-yl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is WLDDALHRLVBUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S2/c1-3(2)4-10-11-5(12-4)13-6(7,8)9/h3H,1-2H3.
What are the key properties of 2-propan-2-yl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole?
2-propan-2-yl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 228.26 g/mol, XLogP of 3.27, 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-(trifluoromethylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 144946175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).