N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C15H20N2OS — CID 105140832

IUPACN-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1scnc1C
InChIInChI=1S/C15H20N2OS/c1-4-16-14(15-11(3)17-10-19-15)12-6-8-13(9-7-12)18-5-2/h6-10,14,16H,4-5H2,1-3H3
InChIKeyKPTSPJRSYNHACJ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.55
Rot. Bonds6

About N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 105140832) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID105140832
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1scnc1C
InChIInChI=1S/C15H20N2OS/c1-4-16-14(15-11(3)17-10-19-15)12-6-8-13(9-7-12)18-5-2/h6-10,14,16H,4-5H2,1-3H3
InChIKeyKPTSPJRSYNHACJ-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 43788971
N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 63798446
N-[(2,3-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105140660
N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105172283
N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489387
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388
N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63841105
N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105189609
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450
N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 82870796
N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine
CID 105163726
N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 103400889

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 105140832) is N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is CCNC(c1ccc(OCC)cc1)c1scnc1C.
What is the InChIKey of N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is KPTSPJRSYNHACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-16-14(15-11(3)17-10-19-15)12-6-8-13(9-7-12)18-5-2/h6-10,14,16H,4-5H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105140832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).