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

C11H17F3N4OS — CID 86799573

IUPACN-[2-(3-methylmorpholin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(CNc1nnc(C(F)(F)F)s1)N1CCOCC1C
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)
InChIKeySCNYHMHDLGOYJR-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.08
Rot. Bonds4

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

N-[2-(3-methylmorpholin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 86799573) has the molecular formula C11H17F3N4OS and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[2-(3-methylmorpholin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylmorpholin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID86799573
Molecular FormulaC11H17F3N4OS
Molecular Weight310.35 g/mol
Exact Mass310.11
IUPAC NameN-[2-(3-methylmorpholin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(CNc1nnc(C(F)(F)F)s1)N1CCOCC1C
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)
InChIKeySCNYHMHDLGOYJR-UHFFFAOYSA-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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Related Compounds

1-(5-Methyl-1,3,4-thiadiazol-2-yl)-3-(2-morpholin-4-ylpropyl)urea
CID 45821064
1-Morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one
CID 91636364
(2S)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one
CID 99698842
(2R)-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one
CID 99698843
N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 99699493
N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 99856214
2-[4-[2-(2-Methylpropoxy)ethyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 100735204
[6-Methyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanamine
CID 102938748
N-(morpholin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 103549350
3-methoxy-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 106182236
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106620982
2-[2,2-Difluoroethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]ethanol
CID 107486197

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylmorpholin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(3-methylmorpholin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 86799573) is N-[2-(3-methylmorpholin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-(3-methylmorpholin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(3-methylmorpholin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(CNc1nnc(C(F)(F)F)s1)N1CCOCC1C.
What is the InChIKey of N-[2-(3-methylmorpholin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SCNYHMHDLGOYJR-UHFFFAOYSA-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).
What are the key properties of N-[2-(3-methylmorpholin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[2-(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-[2-(3-methylmorpholin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 86799573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).