4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine

C13H13N3S — CID 2118298

IUPAC4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCCc1cccc2c(-c3csc(N)n3)c[nH]c12
InChIInChI=1S/C13H13N3S/c1-2-8-4-3-5-9-10(6-15-12(8)9)11-7-17-13(14)16-11/h3-7,15H,2H2,1H3,(H2,14,16)
InChIKeyKRYBKTJWXLECMA-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.44
Rot. Bonds2

About 4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine

4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine (PubChem CID 2118298) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine
PubChem CID2118298
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCCc1cccc2c(-c3csc(N)n3)c[nH]c12
InChIInChI=1S/C13H13N3S/c1-2-8-4-3-5-9-10(6-15-12(8)9)11-7-17-13(14)16-11/h3-7,15H,2H2,1H3,(H2,14,16)
InChIKeyKRYBKTJWXLECMA-UHFFFAOYSA-N
XLogP3.44
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine (CID 2118298) is 4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine is CCc1cccc2c(-c3csc(N)n3)c[nH]c12.
What is the InChIKey of 4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is KRYBKTJWXLECMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-2-8-4-3-5-9-10(6-15-12(8)9)11-7-17-13(14)16-11/h3-7,15H,2H2,1H3,(H2,14,16).
What are the key properties of 4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 243.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2118298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).