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

C8H11F3N4OS — CID 103549350

IUPACN-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCC2COCCN2)s1
InChIInChI=1S/C8H11F3N4OS/c9-8(10,11)6-14-15-7(17-6)13-3-5-4-16-2-1-12-5/h5,12H,1-4H2,(H,13,15)
InChIKeySWEVPDUSHLXICV-UHFFFAOYSA-N
MW268.26 g/mol
LogP0.96
Rot. Bonds3

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

N-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 103549350) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID103549350
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC NameN-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCC2COCCN2)s1
InChIInChI=1S/C8H11F3N4OS/c9-8(10,11)6-14-15-7(17-6)13-3-5-4-16-2-1-12-5/h5,12H,1-4H2,(H,13,15)
InChIKeySWEVPDUSHLXICV-UHFFFAOYSA-N
XLogP0.96
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 103549350) is N-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NCC2COCCN2)s1.
What is the InChIKey of N-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SWEVPDUSHLXICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c9-8(10,11)6-14-15-7(17-6)13-3-5-4-16-2-1-12-5/h5,12H,1-4H2,(H,13,15).
What are the key properties of N-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 268.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103549350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).