[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine

C12H18F4N2OS — CID 103476449

IUPAC[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(C)c1nc(COCC(F)(F)C(F)F)sc1CN
InChIInChI=1S/C12H18F4N2OS/c1-11(2,3)9-7(4-17)20-8(18-9)5-19-6-12(15,16)10(13)14/h10H,4-6,17H2,1-3H3
InChIKeyIHGSVRVFESNJBX-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.32
Rot. Bonds6

About [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine

[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 103476449) has the molecular formula C12H18F4N2OS and a molecular weight of 314.35 g/mol. Its IUPAC name is [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID103476449
Molecular FormulaC12H18F4N2OS
Molecular Weight314.35 g/mol
Exact Mass314.11
IUPAC Name[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(C)c1nc(COCC(F)(F)C(F)F)sc1CN
InChIInChI=1S/C12H18F4N2OS/c1-11(2,3)9-7(4-17)20-8(18-9)5-19-6-12(15,16)10(13)14/h10H,4-6,17H2,1-3H3
InChIKeyIHGSVRVFESNJBX-UHFFFAOYSA-N
XLogP3.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.32
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 [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 103476449) is [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine is CC(C)(C)c1nc(COCC(F)(F)C(F)F)sc1CN.
What is the InChIKey of [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is IHGSVRVFESNJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F4N2OS/c1-11(2,3)9-7(4-17)20-8(18-9)5-19-6-12(15,16)10(13)14/h10H,4-6,17H2,1-3H3.
What are the key properties of [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 314.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103476449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).