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

C9H13F3N4OS — CID 102938748

IUPAC[6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine
SMILESCC1CN(c2nnc(C(F)(F)F)s2)CC(CN)O1
InChIInChI=1S/C9H13F3N4OS/c1-5-3-16(4-6(2-13)17-5)8-15-14-7(18-8)9(10,11)12/h5-6H,2-4,13H2,1H3
InChIKeyPCWQWSZJGFPVLZ-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.11
Rot. Bonds2

About [6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine

[6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine (PubChem CID 102938748) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is [6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine
PubChem CID102938748
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC Name[6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine
SMILESCC1CN(c2nnc(C(F)(F)F)s2)CC(CN)O1
InChIInChI=1S/C9H13F3N4OS/c1-5-3-16(4-6(2-13)17-5)8-15-14-7(18-8)9(10,11)12/h5-6H,2-4,13H2,1H3
InChIKeyPCWQWSZJGFPVLZ-UHFFFAOYSA-N
XLogP1.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine?
The IUPAC name of [6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine (CID 102938748) is [6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for [6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine?
The canonical SMILES for [6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine is CC1CN(c2nnc(C(F)(F)F)s2)CC(CN)O1.
What is the InChIKey of [6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine?
The InChIKey is PCWQWSZJGFPVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-5-3-16(4-6(2-13)17-5)8-15-14-7(18-8)9(10,11)12/h5-6H,2-4,13H2,1H3.
What are the key properties of [6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine?
[6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine has a molecular weight of 282.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine is sourced from PubChem (CID 102938748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).