4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine

C13H14FN3OS — CID 57476895

IUPAC4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(F)cc2)c(N2CCOCC2)s1
InChIInChI=1S/C13H14FN3OS/c14-10-3-1-9(2-4-10)11-12(19-13(15)16-11)17-5-7-18-8-6-17/h1-4H,5-8H2,(H2,15,16)
InChIKeyPYYMXOWDWPZYTD-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.37
Rot. Bonds2

About 4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine

4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine (PubChem CID 57476895) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine
PubChem CID57476895
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(F)cc2)c(N2CCOCC2)s1
InChIInChI=1S/C13H14FN3OS/c14-10-3-1-9(2-4-10)11-12(19-13(15)16-11)17-5-7-18-8-6-17/h1-4H,5-8H2,(H2,15,16)
InChIKeyPYYMXOWDWPZYTD-UHFFFAOYSA-N
XLogP2.37
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine (CID 57476895) is 4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine is Nc1nc(-c2ccc(F)cc2)c(N2CCOCC2)s1.
What is the InChIKey of 4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine?
The InChIKey is PYYMXOWDWPZYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c14-10-3-1-9(2-4-10)11-12(19-13(15)16-11)17-5-7-18-8-6-17/h1-4H,5-8H2,(H2,15,16).
What are the key properties of 4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine has a molecular weight of 279.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 57476895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).