2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine

C7H8F4N2OS — CID 103477015

IUPAC2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine
SMILESNc1csc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C7H8F4N2OS/c8-6(9)7(10,11)3-14-1-5-13-4(12)2-15-5/h2,6H,1,3,12H2
InChIKeyKBCIMCYSMJPKBS-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.14
Rot. Bonds5

About 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine

2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine (PubChem CID 103477015) has the molecular formula C7H8F4N2OS and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine
PubChem CID103477015
Molecular FormulaC7H8F4N2OS
Molecular Weight244.21 g/mol
Exact Mass244.03
IUPAC Name2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine
SMILESNc1csc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C7H8F4N2OS/c8-6(9)7(10,11)3-14-1-5-13-4(12)2-15-5/h2,6H,1,3,12H2
InChIKeyKBCIMCYSMJPKBS-UHFFFAOYSA-N
XLogP2.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 52.14
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 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine (CID 103477015) is 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine is Nc1csc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine?
The InChIKey is KBCIMCYSMJPKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N2OS/c8-6(9)7(10,11)3-14-1-5-13-4(12)2-15-5/h2,6H,1,3,12H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine?
2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine has a molecular weight of 244.21 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 103477015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).