N-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

C17H24FN4OS2+ — CID 8933127

IUPACN-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)C[NH+]1CCO[C@@H](CSc2nnc(Nc3ccccc3F)s2)C1
InChIInChI=1S/C17H23FN4OS2/c1-12(2)9-22-7-8-23-13(10-22)11-24-17-21-20-16(25-17)19-15-6-4-3-5-14(15)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,20)/p+1/t13-/m1/s1
InChIKeyNBFWQKBYFSLDKP-CYBMUJFWSA-O
MW383.54 g/mol
LogP2.45
Rot. Bonds7

About N-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 8933127) has the molecular formula C17H24FN4OS2+ and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID8933127
Molecular FormulaC17H24FN4OS2+
Molecular Weight383.54 g/mol
Exact Mass383.14
IUPAC NameN-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)C[NH+]1CCO[C@@H](CSc2nnc(Nc3ccccc3F)s2)C1
InChIInChI=1S/C17H23FN4OS2/c1-12(2)9-22-7-8-23-13(10-22)11-24-17-21-20-16(25-17)19-15-6-4-3-5-14(15)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,20)/p+1/t13-/m1/s1
InChIKeyNBFWQKBYFSLDKP-CYBMUJFWSA-O
XLogP2.45
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 8933125
N-(2-fluorophenyl)-5-[[(2R)-oxan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2588571
N-[(4-methoxyphenyl)methyl]-5-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9476127
5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 4879372
N-(2-fluorophenyl)-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 86901024
N,N-bis[(2S)-butan-2-yl]-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 41354023
N,N-bis[(2R)-butan-2-yl]-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 41354031
N-(2-ethoxyphenyl)-5-[[(2S)-oxan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2589170
N-(2-fluorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 41449664
methyl 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 2083644
N-carbamoyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 5223377
(3S)-3-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one
CID 2534354

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 8933127) is N-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is CC(C)C[NH+]1CCO[C@@H](CSc2nnc(Nc3ccccc3F)s2)C1.
What is the InChIKey of N-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NBFWQKBYFSLDKP-CYBMUJFWSA-O. The full InChI is InChI=1S/C17H23FN4OS2/c1-12(2)9-22-7-8-23-13(10-22)11-24-17-21-20-16(25-17)19-15-6-4-3-5-14(15)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,20)/p+1/t13-/m1/s1.
What are the key properties of N-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 383.54 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 8933127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).