1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine

C14H18N2OS2 — CID 64626305

IUPAC1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine
SMILESCCOc1ccc(C(C)N)cc1CSc1nccs1
InChIInChI=1S/C14H18N2OS2/c1-3-17-13-5-4-11(10(2)15)8-12(13)9-19-14-16-6-7-18-14/h4-8,10H,3,9,15H2,1-2H3
InChIKeyGEHNNXNQFRHXGF-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.85
Rot. Bonds6

About 1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine

1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine (PubChem CID 64626305) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine
PubChem CID64626305
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC Name1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine
SMILESCCOc1ccc(C(C)N)cc1CSc1nccs1
InChIInChI=1S/C14H18N2OS2/c1-3-17-13-5-4-11(10(2)15)8-12(13)9-19-14-16-6-7-18-14/h4-8,10H,3,9,15H2,1-2H3
InChIKeyGEHNNXNQFRHXGF-UHFFFAOYSA-N
XLogP3.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(4-bromophenyl)sulfanylmethyl]-4-ethoxyphenyl]ethanamine
CID 64613281
1-[4-ethoxy-3-(3-methylbutylsulfanylmethyl)phenyl]ethanamine
CID 107764224
1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine
CID 60861720
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-[3-chloro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
CID 62912969
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
[4-methoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]boronic acid
CID 54969132
1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 64628516
1-[4-ethoxy-3-(2-methylbutylsulfonylmethyl)phenyl]ethanamine
CID 107759746
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline
CID 61218917

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine?
The IUPAC name of 1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine (CID 64626305) is 1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine is CCOc1ccc(C(C)N)cc1CSc1nccs1.
What is the InChIKey of 1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine?
The InChIKey is GEHNNXNQFRHXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-3-17-13-5-4-11(10(2)15)8-12(13)9-19-14-16-6-7-18-14/h4-8,10H,3,9,15H2,1-2H3.
What are the key properties of 1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine?
1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine has a molecular weight of 294.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine is sourced from PubChem (CID 64626305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).