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

C10H13F5N2OS — CID 79775071

IUPAC5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COCC(F)(F)C(F)(F)F)s1
InChIInChI=1S/C10H13F5N2OS/c1-2-3-16-8-17-4-7(19-8)5-18-6-9(11,12)10(13,14)15/h4H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyKEAHKMITIWEQKS-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.68
Rot. Bonds7

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

5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 79775071) has the molecular formula C10H13F5N2OS and a molecular weight of 304.28 g/mol. Its IUPAC name is 5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID79775071
Molecular FormulaC10H13F5N2OS
Molecular Weight304.28 g/mol
Exact Mass304.07
IUPAC Name5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COCC(F)(F)C(F)(F)F)s1
InChIInChI=1S/C10H13F5N2OS/c1-2-3-16-8-17-4-7(19-8)5-18-6-9(11,12)10(13,14)15/h4H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyKEAHKMITIWEQKS-UHFFFAOYSA-N
XLogP3.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.68
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)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3-thiazol-2-amine (CID 79775071) is 5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COCC(F)(F)C(F)(F)F)s1.
What is the InChIKey of 5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is KEAHKMITIWEQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5N2OS/c1-2-3-16-8-17-4-7(19-8)5-18-6-9(11,12)10(13,14)15/h4H,2-3,5-6H2,1H3,(H,16,17).
What are the key properties of 5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3-thiazol-2-amine?
5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 304.28 g/mol, XLogP of 3.68, 7 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)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79775071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).