5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine

C8H11F3N2OS — CID 82792616

IUPAC5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(COCCCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS/c9-8(10,11)2-1-3-14-5-6-4-13-7(12)15-6/h4H,1-3,5H2,(H2,12,13)
InChIKeyGFGOSHFBYHFCSQ-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.58
Rot. Bonds5

About 5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine

5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine (PubChem CID 82792616) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine
PubChem CID82792616
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(COCCCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS/c9-8(10,11)2-1-3-14-5-6-4-13-7(12)15-6/h4H,1-3,5H2,(H2,12,13)
InChIKeyGFGOSHFBYHFCSQ-UHFFFAOYSA-N
XLogP2.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.58
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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Related Compounds

5-(Methoxymethyl)-1,3-thiazol-2-amine
CID 20664854
[5-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764294
[5-(2,2,3,3-Tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764415
[5-(2,2,3,3,3-Pentafluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764569
[5-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765559
5-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-2-amine
CID 79774189
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine
CID 79774190
N-propyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine
CID 79774284
5-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
CID 79774515
N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
CID 79774516
N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
CID 79774608
5-(2,2,3,3,3-Pentafluoropropoxymethyl)-1,3-thiazol-2-amine
CID 79774978

Frequently Asked Questions

What is the IUPAC name of 5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine (CID 82792616) is 5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine is Nc1ncc(COCCCC(F)(F)F)s1.
What is the InChIKey of 5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine?
The InChIKey is GFGOSHFBYHFCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c9-8(10,11)2-1-3-14-5-6-4-13-7(12)15-6/h4H,1-3,5H2,(H2,12,13).
What are the key properties of 5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine?
5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine has a molecular weight of 240.25 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82792616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).