5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine

C8H13F2N3S — CID 130563481

IUPAC5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCC(C)(C)Nc1nnc(C(F)F)s1
InChIInChI=1S/C8H13F2N3S/c1-4-8(2,3)11-7-13-12-6(14-7)5(9)10/h5H,4H2,1-3H3,(H,11,13)
InChIKeyAVSCLKIKLLHQTG-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.08
Rot. Bonds4

About 5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine

5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 130563481) has the molecular formula C8H13F2N3S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID130563481
Molecular FormulaC8H13F2N3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCC(C)(C)Nc1nnc(C(F)F)s1
InChIInChI=1S/C8H13F2N3S/c1-4-8(2,3)11-7-13-12-6(14-7)5(9)10/h5H,4H2,1-3H3,(H,11,13)
InChIKeyAVSCLKIKLLHQTG-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine (CID 130563481) is 5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine is CCC(C)(C)Nc1nnc(C(F)F)s1.
What is the InChIKey of 5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AVSCLKIKLLHQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3S/c1-4-8(2,3)11-7-13-12-6(14-7)5(9)10/h5H,4H2,1-3H3,(H,11,13).
What are the key properties of 5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 221.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130563481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).