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

C15H19FN4OS — CID 133457074

IUPAC5-[(4-fluorophenyl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCN1CCOC(CNc2nnc(Cc3ccc(F)cc3)s2)C1
InChIInChI=1S/C15H19FN4OS/c1-20-6-7-21-13(10-20)9-17-15-19-18-14(22-15)8-11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3,(H,17,19)
InChIKeyCRFFQAGSBIJUIC-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.01
Rot. Bonds5

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

5-[(4-fluorophenyl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133457074) has the molecular formula C15H19FN4OS and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID133457074
Molecular FormulaC15H19FN4OS
Molecular Weight322.41 g/mol
Exact Mass322.13
IUPAC Name5-[(4-fluorophenyl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCN1CCOC(CNc2nnc(Cc3ccc(F)cc3)s2)C1
InChIInChI=1S/C15H19FN4OS/c1-20-6-7-21-13(10-20)9-17-15-19-18-14(22-15)8-11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3,(H,17,19)
InChIKeyCRFFQAGSBIJUIC-UHFFFAOYSA-N
XLogP2.01
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 133457074) is 5-[(4-fluorophenyl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine is CN1CCOC(CNc2nnc(Cc3ccc(F)cc3)s2)C1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CRFFQAGSBIJUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4OS/c1-20-6-7-21-13(10-20)9-17-15-19-18-14(22-15)8-11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3,(H,17,19).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-[(4-fluorophenyl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 322.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133457074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).