2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine

C13H17N3OS — CID 63829691

IUPAC2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
SMILESCCOc1cc(NCCc2cscn2)ccc1N
InChIInChI=1S/C13H17N3OS/c1-2-17-13-7-10(3-4-12(13)14)15-6-5-11-8-18-9-16-11/h3-4,7-9,15H,2,5-6,14H2,1H3
InChIKeyHFWLRCDIWLNLBH-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.78
Rot. Bonds6

About 2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine

2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine (PubChem CID 63829691) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
PubChem CID63829691
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
SMILESCCOc1cc(NCCc2cscn2)ccc1N
InChIInChI=1S/C13H17N3OS/c1-2-17-13-7-10(3-4-12(13)14)15-6-5-11-8-18-9-16-11/h3-4,7-9,15H,2,5-6,14H2,1H3
InChIKeyHFWLRCDIWLNLBH-UHFFFAOYSA-N
XLogP2.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
CID 63830447
2-amino-5-[2-(1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 115499504
2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
CID 55232166
2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 63671672
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
2-methyl-4-[2-(1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide
CID 81276841
2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 63830219
4-[2-(4-amino-3-propoxyanilino)ethyl]phenol
CID 63671834
4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 114281261
4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
CID 113478541
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 63676287
2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 114139225

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine (CID 63829691) is 2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine is CCOc1cc(NCCc2cscn2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
The InChIKey is HFWLRCDIWLNLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-17-13-7-10(3-4-12(13)14)15-6-5-11-8-18-9-16-11/h3-4,7-9,15H,2,5-6,14H2,1H3.
What are the key properties of 2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 63829691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).