4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline

C14H18N2OS2 — CID 79518538

IUPAC4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline
SMILESCCOc1ccc(N)c(SCCc2scnc2C)c1
InChIInChI=1S/C14H18N2OS2/c1-3-17-11-4-5-12(15)14(8-11)18-7-6-13-10(2)16-9-19-13/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyOGURETGLCIWTLE-UHFFFAOYSA-N
MW294.45 g/mol
LogP3.77
Rot. Bonds6

About 4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline

4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline (PubChem CID 79518538) has the molecular formula C14H18N2OS2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline.

Molecular Properties

Compound Name4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline
PubChem CID79518538
Molecular FormulaC14H18N2OS2
Molecular Weight294.45 g/mol
Exact Mass294.09
IUPAC Name4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline
SMILESCCOc1ccc(N)c(SCCc2scnc2C)c1
InChIInChI=1S/C14H18N2OS2/c1-3-17-11-4-5-12(15)14(8-11)18-7-6-13-10(2)16-9-19-13/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyOGURETGLCIWTLE-UHFFFAOYSA-N
XLogP3.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclopropylethylsulfanyl)-4-ethoxyaniline
CID 79527674
2-(2-butoxyethylsulfanyl)-4-ethoxyaniline
CID 79526708
4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 79527451
4-ethoxy-2-(3-methylsulfonylpropylsulfanyl)aniline
CID 79526633
4-chloro-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]aniline
CID 79525137
2-[(5-bromothiophen-3-yl)methylsulfanyl]-4-ethoxyaniline
CID 79526574
4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline
CID 79518909
1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol
CID 104643517
2-[(3,4-dimethylphenyl)methylsulfanyl]-4-ethoxyaniline
CID 79526573
4-ethoxy-2-(3-methylbut-2-enylsulfanyl)aniline
CID 79526787
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylsulfanyl]-4-ethoxyaniline
CID 79534264
4-ethoxy-2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)aniline
CID 79527308

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline?
The IUPAC name of 4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline (CID 79518538) is 4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline.
What is the SMILES notation for 4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline?
The canonical SMILES for 4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline is CCOc1ccc(N)c(SCCc2scnc2C)c1.
What is the InChIKey of 4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline?
The InChIKey is OGURETGLCIWTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-3-17-11-4-5-12(15)14(8-11)18-7-6-13-10(2)16-9-19-13/h4-5,8-9H,3,6-7,15H2,1-2H3.
What are the key properties of 4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline?
4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline has a molecular weight of 294.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline is sourced from PubChem (CID 79518538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).