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

C7H9F3N2OS — CID 82959497

IUPAC5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(COCCC(F)(F)F)s1
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)1-2-13-4-5-3-12-6(11)14-5/h3H,1-2,4H2,(H2,11,12)
InChIKeyRZMWOGKNIWVJIE-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.19
Rot. Bonds4

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

5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-amine (PubChem CID 82959497) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-amine
PubChem CID82959497
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(COCCC(F)(F)F)s1
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)1-2-13-4-5-3-12-6(11)14-5/h3H,1-2,4H2,(H2,11,12)
InChIKeyRZMWOGKNIWVJIE-UHFFFAOYSA-N
XLogP2.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.19
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 5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-amine (CID 82959497) is 5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-amine is Nc1ncc(COCCC(F)(F)F)s1.
What is the InChIKey of 5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-amine?
The InChIKey is RZMWOGKNIWVJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c8-7(9,10)1-2-13-4-5-3-12-6(11)14-5/h3H,1-2,4H2,(H2,11,12).
What are the key properties of 5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-amine?
5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-amine has a molecular weight of 226.22 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82959497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).