N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H22N2OS — CID 116774375

IUPACN-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCOC(c1ccccc1)c1ncc(CNC(C)C)s1
InChIInChI=1S/C16H22N2OS/c1-4-19-15(13-8-6-5-7-9-13)16-18-11-14(20-16)10-17-12(2)3/h5-9,11-12,15,17H,4,10H2,1-3H3
InChIKeyXUJUTKIOXDEOHN-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.77
Rot. Bonds7

About N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 116774375) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID116774375
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCOC(c1ccccc1)c1ncc(CNC(C)C)s1
InChIInChI=1S/C16H22N2OS/c1-4-19-15(13-8-6-5-7-9-13)16-18-11-14(20-16)10-17-12(2)3/h5-9,11-12,15,17H,4,10H2,1-3H3
InChIKeyXUJUTKIOXDEOHN-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774365
N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116727637
N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine
CID 116774603
N-[[2-[methoxy(phenyl)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774770
N-[[2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82423969
1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine
CID 54883334
1-[2-[ethoxy(phenyl)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778891
2-[ethoxy(phenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774431
(1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol
CID 100714202
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole
CID 116744336

Frequently Asked Questions

What is the IUPAC name of N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 116774375) is N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is CCOC(c1ccccc1)c1ncc(CNC(C)C)s1.
What is the InChIKey of N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is XUJUTKIOXDEOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-19-15(13-8-6-5-7-9-13)16-18-11-14(20-16)10-17-12(2)3/h5-9,11-12,15,17H,4,10H2,1-3H3.
What are the key properties of N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 116774375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).