[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine

C8H11F3N4OS — CID 114449509

IUPAC[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine
SMILESNCC1CN(c2nnc(C(F)(F)F)s2)CCO1
InChIInChI=1S/C8H11F3N4OS/c9-8(10,11)6-13-14-7(17-6)15-1-2-16-5(3-12)4-15/h5H,1-4,12H2
InChIKeyVOMNBJGCKCZQRV-UHFFFAOYSA-N
MW268.26 g/mol
LogP0.72
Rot. Bonds2

About [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine

[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine (PubChem CID 114449509) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine
PubChem CID114449509
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC Name[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine
SMILESNCC1CN(c2nnc(C(F)(F)F)s2)CCO1
InChIInChI=1S/C8H11F3N4OS/c9-8(10,11)6-13-14-7(17-6)15-1-2-16-5(3-12)4-15/h5H,1-4,12H2
InChIKeyVOMNBJGCKCZQRV-UHFFFAOYSA-N
XLogP0.72
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine (CID 114449509) is [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine is NCC1CN(c2nnc(C(F)(F)F)s2)CCO1.
What is the InChIKey of [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine?
The InChIKey is VOMNBJGCKCZQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c9-8(10,11)6-13-14-7(17-6)15-1-2-16-5(3-12)4-15/h5H,1-4,12H2.
What are the key properties of [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine?
[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine has a molecular weight of 268.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114449509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).