N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine

C10H15F3N2OS — CID 62445595

IUPACN-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(COCC(F)(F)F)cs1
InChIInChI=1S/C10H15F3N2OS/c1-2-3-14-4-9-15-8(6-17-9)5-16-7-10(11,12)13/h6,14H,2-5,7H2,1H3
InChIKeyQVTPHXULLHFELX-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.72
Rot. Bonds7

About N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine

N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 62445595) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID62445595
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC NameN-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(COCC(F)(F)F)cs1
InChIInChI=1S/C10H15F3N2OS/c1-2-3-14-4-9-15-8(6-17-9)5-16-7-10(11,12)13/h6,14H,2-5,7H2,1H3
InChIKeyQVTPHXULLHFELX-UHFFFAOYSA-N
XLogP2.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 62445595) is N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is CCCNCc1nc(COCC(F)(F)F)cs1.
What is the InChIKey of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is QVTPHXULLHFELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-2-3-14-4-9-15-8(6-17-9)5-16-7-10(11,12)13/h6,14H,2-5,7H2,1H3.
What are the key properties of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 268.30 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62445595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).