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

C15H20N2O2S — CID 43174424

IUPAC2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline
SMILESCc1ncsc1CCOCCCOc1ccccc1N
InChIInChI=1S/C15H20N2O2S/c1-12-15(20-11-17-12)7-10-18-8-4-9-19-14-6-3-2-5-13(14)16/h2-3,5-6,11H,4,7-10,16H2,1H3
InChIKeyFSMKDJHBVUPOPO-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.06
Rot. Bonds8

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

2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline (PubChem CID 43174424) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline.

Molecular Properties

Compound Name2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline
PubChem CID43174424
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline
SMILESCc1ncsc1CCOCCCOc1ccccc1N
InChIInChI=1S/C15H20N2O2S/c1-12-15(20-11-17-12)7-10-18-8-4-9-19-14-6-3-2-5-13(14)16/h2-3,5-6,11H,4,7-10,16H2,1H3
InChIKeyFSMKDJHBVUPOPO-UHFFFAOYSA-N
XLogP3.06
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid
CID 43532271
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1-phenylbutan-1-one
CID 62030778
4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole
CID 79403461
3-amino-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 43518282
2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 104717167
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
CID 65248861
2,2-dimethyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentanenitrile
CID 65257542

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline?
The IUPAC name of 2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline (CID 43174424) is 2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline.
What is the SMILES notation for 2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline?
The canonical SMILES for 2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline is Cc1ncsc1CCOCCCOc1ccccc1N.
What is the InChIKey of 2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline?
The InChIKey is FSMKDJHBVUPOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12-15(20-11-17-12)7-10-18-8-4-9-19-14-6-3-2-5-13(14)16/h2-3,5-6,11H,4,7-10,16H2,1H3.
What are the key properties of 2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline?
2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline has a molecular weight of 292.40 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline is sourced from PubChem (CID 43174424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).