4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine

C13H13N3OS — CID 83163271

IUPAC4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCCOc1cccc2[nH]cc(-c3csc(N)n3)c12
InChIInChI=1S/C13H13N3OS/c1-2-17-11-5-3-4-9-12(11)8(6-15-9)10-7-18-13(14)16-10/h3-7,15H,2H2,1H3,(H2,14,16)
InChIKeyCWTFMOUWAQCCEA-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.27
Rot. Bonds3

About 4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine

4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine (PubChem CID 83163271) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
PubChem CID83163271
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCCOc1cccc2[nH]cc(-c3csc(N)n3)c12
InChIInChI=1S/C13H13N3OS/c1-2-17-11-5-3-4-9-12(11)8(6-15-9)10-7-18-13(14)16-10/h3-7,15H,2H2,1H3,(H2,14,16)
InChIKeyCWTFMOUWAQCCEA-UHFFFAOYSA-N
XLogP3.27
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 43163574
4-(2-ethoxy-5-fluorophenyl)-1,3-thiazol-2-amine
CID 5153390
4-ethoxy-3-ethyl-1H-indole
CID 171816854
3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one
CID 5207452
4-(2-ethoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 5091482
2-(4-methoxy-1H-indol-3-yl)pyridin-4-amine
CID 115114211
3-(4-ethoxy-1H-indol-3-yl)propan-1-amine
CID 83917405
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
CID 56832420
3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667895
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]ethanol
CID 28857958

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine (CID 83163271) is 4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine is CCOc1cccc2[nH]cc(-c3csc(N)n3)c12.
What is the InChIKey of 4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is CWTFMOUWAQCCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-2-17-11-5-3-4-9-12(11)8(6-15-9)10-7-18-13(14)16-10/h3-7,15H,2H2,1H3,(H2,14,16).
What are the key properties of 4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine?
4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 259.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83163271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).