N-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C8H10F3N3OS — CID 114448375

IUPACN-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCC2CCOC2)s1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)6-13-14-7(16-6)12-3-5-1-2-15-4-5/h5H,1-4H2,(H,12,14)
InChIKeyXDIXACSZZJHUQJ-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.01
Rot. Bonds3

About N-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448375) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448375
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC NameN-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCC2CCOC2)s1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)6-13-14-7(16-6)12-3-5-1-2-15-4-5/h5H,1-4H2,(H,12,14)
InChIKeyXDIXACSZZJHUQJ-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448375) is N-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NCC2CCOC2)s1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XDIXACSZZJHUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)6-13-14-7(16-6)12-3-5-1-2-15-4-5/h5H,1-4H2,(H,12,14).
What are the key properties of N-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 253.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).