5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine

C9H16FN3OS — CID 103392570

IUPAC5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine
SMILESCOCC(F)(CCCN)c1cnc(N)s1
InChIInChI=1S/C9H16FN3OS/c1-14-6-9(10,3-2-4-11)7-5-13-8(12)15-7/h5H,2-4,6,11H2,1H3,(H2,12,13)
InChIKeyWGOSLUMQGUDHBC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.28
Rot. Bonds6

About 5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine

5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine (PubChem CID 103392570) has the molecular formula C9H16FN3OS and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine
PubChem CID103392570
Molecular FormulaC9H16FN3OS
Molecular Weight233.31 g/mol
Exact Mass233.10
IUPAC Name5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine
SMILESCOCC(F)(CCCN)c1cnc(N)s1
InChIInChI=1S/C9H16FN3OS/c1-14-6-9(10,3-2-4-11)7-5-13-8(12)15-7/h5H,2-4,6,11H2,1H3,(H2,12,13)
InChIKeyWGOSLUMQGUDHBC-UHFFFAOYSA-N
XLogP1.28
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine (CID 103392570) is 5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine is COCC(F)(CCCN)c1cnc(N)s1.
What is the InChIKey of 5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is WGOSLUMQGUDHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3OS/c1-14-6-9(10,3-2-4-11)7-5-13-8(12)15-7/h5H,2-4,6,11H2,1H3,(H2,12,13).
What are the key properties of 5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine?
5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 233.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-fluoro-1-methoxypentan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 103392570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).