N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine

C16H19FN2OS — CID 115655119

IUPACN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCc1csc(-c2ccc(F)cc2)n1)C1CCOC1
InChIInChI=1S/C16H19FN2OS/c1-11(13-6-7-20-9-13)18-8-15-10-21-16(19-15)12-2-4-14(17)5-3-12/h2-5,10-11,13,18H,6-9H2,1H3
InChIKeyNXCDSLAQRSWEQB-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.46
Rot. Bonds5

About N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115655119) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115655119
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCc1csc(-c2ccc(F)cc2)n1)C1CCOC1
InChIInChI=1S/C16H19FN2OS/c1-11(13-6-7-20-9-13)18-8-15-10-21-16(19-15)12-2-4-14(17)5-3-12/h2-5,10-11,13,18H,6-9H2,1H3
InChIKeyNXCDSLAQRSWEQB-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine (CID 115655119) is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine is CC(NCc1csc(-c2ccc(F)cc2)n1)C1CCOC1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is NXCDSLAQRSWEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-11(13-6-7-20-9-13)18-8-15-10-21-16(19-15)12-2-4-14(17)5-3-12/h2-5,10-11,13,18H,6-9H2,1H3.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine?
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 306.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115655119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).