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

C14H19N3OS — CID 55232166

IUPAC2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
SMILESCCCOc1cc(NCCc2nccs2)ccc1N
InChIInChI=1S/C14H19N3OS/c1-2-8-18-13-10-11(3-4-12(13)15)16-6-5-14-17-7-9-19-14/h3-4,7,9-10,16H,2,5-6,8,15H2,1H3
InChIKeyCOEOQQMRNSLXBJ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.17
Rot. Bonds7

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

2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine (PubChem CID 55232166) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
PubChem CID55232166
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
SMILESCCCOc1cc(NCCc2nccs2)ccc1N
InChIInChI=1S/C14H19N3OS/c1-2-8-18-13-10-11(3-4-12(13)15)16-6-5-14-17-7-9-19-14/h3-4,7,9-10,16H,2,5-6,8,15H2,1H3
InChIKeyCOEOQQMRNSLXBJ-UHFFFAOYSA-N
XLogP3.17
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.17
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

4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805
4-[2-(4-amino-3-propoxyanilino)ethyl]phenol
CID 63671834
4-N-(2-methylsulfanylethyl)-2-propoxybenzene-1,4-diamine
CID 63983761
methyl 3-(4-amino-3-propoxyanilino)propanoate
CID 55232749
4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 106166400
4-(4-amino-3-propoxyanilino)butan-2-ol
CID 64928452
2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 63829691
2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 79466616
4-(4-amino-3-propoxyanilino)butanamide
CID 63671493
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propoxybenzene-1,4-diamine
CID 63677781
4-N-[(4-methyl-3-pyridinyl)methyl]-2-propoxybenzene-1,4-diamine
CID 114954604
2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine
CID 89075678

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine (CID 55232166) is 2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine is CCCOc1cc(NCCc2nccs2)ccc1N.
What is the InChIKey of 2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine?
The InChIKey is COEOQQMRNSLXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-8-18-13-10-11(3-4-12(13)15)16-6-5-14-17-7-9-19-14/h3-4,7,9-10,16H,2,5-6,8,15H2,1H3.
What are the key properties of 2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine?
2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine has a molecular weight of 277.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 55232166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).