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

C7H5F3N4OS — CID 114448687

IUPACN-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCc2ccon2)s1
InChIInChI=1S/C7H5F3N4OS/c8-7(9,10)5-12-13-6(16-5)11-3-4-1-2-15-14-4/h1-2H,3H2,(H,11,13)
InChIKeyBRVOINFOMYPDGO-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.16
Rot. Bonds3

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

N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448687) has the molecular formula C7H5F3N4OS and a molecular weight of 250.20 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448687
Molecular FormulaC7H5F3N4OS
Molecular Weight250.20 g/mol
Exact Mass250.01
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCc2ccon2)s1
InChIInChI=1S/C7H5F3N4OS/c8-7(9,10)5-12-13-6(16-5)11-3-4-1-2-15-14-4/h1-2H,3H2,(H,11,13)
InChIKeyBRVOINFOMYPDGO-UHFFFAOYSA-N
XLogP2.16
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448687) is N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NCc2ccon2)s1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BRVOINFOMYPDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4OS/c8-7(9,10)5-12-13-6(16-5)11-3-4-1-2-15-14-4/h1-2H,3H2,(H,11,13).
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 250.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).