[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine

C10H15F3N2O2S — CID 103150603

IUPAC[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(CCOCC(F)(F)F)sc1CN
InChIInChI=1S/C10H15F3N2O2S/c1-16-5-7-8(4-14)18-9(15-7)2-3-17-6-10(11,12)13/h2-6,14H2,1H3
InChIKeyDWKHLERFCLRDFQ-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.87
Rot. Bonds7

About [4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine

[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 103150603) has the molecular formula C10H15F3N2O2S and a molecular weight of 284.30 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
PubChem CID103150603
Molecular FormulaC10H15F3N2O2S
Molecular Weight284.30 g/mol
Exact Mass284.08
IUPAC Name[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(CCOCC(F)(F)F)sc1CN
InChIInChI=1S/C10H15F3N2O2S/c1-16-5-7-8(4-14)18-9(15-7)2-3-17-6-10(11,12)13/h2-6,14H2,1H3
InChIKeyDWKHLERFCLRDFQ-UHFFFAOYSA-N
XLogP1.87
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine (CID 103150603) is [4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine is COCc1nc(CCOCC(F)(F)F)sc1CN.
What is the InChIKey of [4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is DWKHLERFCLRDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2S/c1-16-5-7-8(4-14)18-9(15-7)2-3-17-6-10(11,12)13/h2-6,14H2,1H3.
What are the key properties of [4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
[4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 284.30 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103150603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).