N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C11H17F3N4OS — CID 129392890

IUPACN-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESC[C@@H]1COCCN1[C@@H](C)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N4OS/c1-7(18-3-4-19-6-8(18)2)5-15-10-17-16-9(20-10)11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,17)/t7-,8+/m0/s1
InChIKeySCNYHMHDLGOYJR-JGVFFNPUSA-N
MW310.35 g/mol
LogP2.08
Rot. Bonds4

About N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 129392890) has the molecular formula C11H17F3N4OS and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID129392890
Molecular FormulaC11H17F3N4OS
Molecular Weight310.35 g/mol
Exact Mass310.11
IUPAC NameN-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESC[C@@H]1COCCN1[C@@H](C)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N4OS/c1-7(18-3-4-19-6-8(18)2)5-15-10-17-16-9(20-10)11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,17)/t7-,8+/m0/s1
InChIKeySCNYHMHDLGOYJR-JGVFFNPUSA-N
XLogP2.08
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 129392890) is N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is C[C@@H]1COCCN1[C@@H](C)CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SCNYHMHDLGOYJR-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H17F3N4OS/c1-7(18-3-4-19-6-8(18)2)5-15-10-17-16-9(20-10)11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,17)/t7-,8+/m0/s1.
What are the key properties of N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 310.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 129392890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).