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

C8H7F3N4OS — CID 155952097

IUPACN-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1ccon1)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H7F3N4OS/c1-15(4-5-2-3-16-14-5)7-13-12-6(17-7)8(9,10)11/h2-3H,4H2,1H3
InChIKeyKBYVOHYWZBNXED-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.18
Rot. Bonds3

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

N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 155952097) has the molecular formula C8H7F3N4OS and a molecular weight of 264.23 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID155952097
Molecular FormulaC8H7F3N4OS
Molecular Weight264.23 g/mol
Exact Mass264.03
IUPAC NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1ccon1)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H7F3N4OS/c1-15(4-5-2-3-16-14-5)7-13-12-6(17-7)8(9,10)11/h2-3H,4H2,1H3
InChIKeyKBYVOHYWZBNXED-UHFFFAOYSA-N
XLogP2.18
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 155952097) is N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CN(Cc1ccon1)c1nnc(C(F)(F)F)s1.
What is the InChIKey of N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KBYVOHYWZBNXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4OS/c1-15(4-5-2-3-16-14-5)7-13-12-6(17-7)8(9,10)11/h2-3H,4H2,1H3.
What are the key properties of N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 264.23 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 155952097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).