4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine

C9H14F2N2OS — CID 103149034

IUPAC4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine
SMILESNC(CCOCC(F)F)Cc1cncs1
InChIInChI=1S/C9H14F2N2OS/c10-9(11)5-14-2-1-7(12)3-8-4-13-6-15-8/h4,6-7,9H,1-3,5,12H2
InChIKeyOIBTUAPLJFOOGH-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.68
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine

4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine (PubChem CID 103149034) has the molecular formula C9H14F2N2OS and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine
PubChem CID103149034
Molecular FormulaC9H14F2N2OS
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine
SMILESNC(CCOCC(F)F)Cc1cncs1
InChIInChI=1S/C9H14F2N2OS/c10-9(11)5-14-2-1-7(12)3-8-4-13-6-15-8/h4,6-7,9H,1-3,5,12H2
InChIKeyOIBTUAPLJFOOGH-UHFFFAOYSA-N
XLogP1.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine (CID 103149034) is 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine is NC(CCOCC(F)F)Cc1cncs1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine?
The InChIKey is OIBTUAPLJFOOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2OS/c10-9(11)5-14-2-1-7(12)3-8-4-13-6-15-8/h4,6-7,9H,1-3,5,12H2.
What are the key properties of 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine?
4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine has a molecular weight of 236.29 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 103149034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).