5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine

C7H7F5N2OS — CID 79774978

IUPAC5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(COCC(F)(F)C(F)(F)F)s1
InChIInChI=1S/C7H7F5N2OS/c8-6(9,7(10,11)12)3-15-2-4-1-14-5(13)16-4/h1H,2-3H2,(H2,13,14)
InChIKeyTZRAVFDQRQGFDX-UHFFFAOYSA-N
MW262.20 g/mol
LogP2.44
Rot. Bonds4

About 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine

5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine (PubChem CID 79774978) has the molecular formula C7H7F5N2OS and a molecular weight of 262.20 g/mol. Its IUPAC name is 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine
PubChem CID79774978
Molecular FormulaC7H7F5N2OS
Molecular Weight262.20 g/mol
Exact Mass262.02
IUPAC Name5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(COCC(F)(F)C(F)(F)F)s1
InChIInChI=1S/C7H7F5N2OS/c8-6(9,7(10,11)12)3-15-2-4-1-14-5(13)16-4/h1H,2-3H2,(H2,13,14)
InChIKeyTZRAVFDQRQGFDX-UHFFFAOYSA-N
XLogP2.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine (CID 79774978) is 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine is Nc1ncc(COCC(F)(F)C(F)(F)F)s1.
What is the InChIKey of 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine?
The InChIKey is TZRAVFDQRQGFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N2OS/c8-6(9,7(10,11)12)3-15-2-4-1-14-5(13)16-4/h1H,2-3H2,(H2,13,14).
What are the key properties of 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine?
5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine has a molecular weight of 262.20 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79774978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).