2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole

C8H12F2N2S — CID 155765582

IUPAC2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole
SMILESCC(C)(C)Cc1nnc(C(F)F)s1
InChIInChI=1S/C8H12F2N2S/c1-8(2,3)4-5-11-12-7(13-5)6(9)10/h6H,4H2,1-3H3
InChIKeyMTWNGFJJHLCFGG-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.06
Rot. Bonds2

About 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole

2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole (PubChem CID 155765582) has the molecular formula C8H12F2N2S and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole
PubChem CID155765582
Molecular FormulaC8H12F2N2S
Molecular Weight206.26 g/mol
Exact Mass206.07
IUPAC Name2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole
SMILESCC(C)(C)Cc1nnc(C(F)F)s1
InChIInChI=1S/C8H12F2N2S/c1-8(2,3)4-5-11-12-7(13-5)6(9)10/h6H,4H2,1-3H3
InChIKeyMTWNGFJJHLCFGG-UHFFFAOYSA-N
XLogP3.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole (CID 155765582) is 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole is CC(C)(C)Cc1nnc(C(F)F)s1.
What is the InChIKey of 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole?
The InChIKey is MTWNGFJJHLCFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2S/c1-8(2,3)4-5-11-12-7(13-5)6(9)10/h6H,4H2,1-3H3.
What are the key properties of 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole?
2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole has a molecular weight of 206.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 155765582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).