5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine

C14H16N4O2S2 — CID 24768513

IUPAC5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1S(=O)(=O)n1cc(CCN)c2ccccc21
InChIInChI=1S/C14H16N4O2S2/c1-9-13(21-14(16)17-9)22(19,20)18-8-10(6-7-15)11-4-2-3-5-12(11)18/h2-5,8H,6-7,15H2,1H3,(H2,16,17)
InChIKeyRKTUJGHCTYYOGY-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.73
Rot. Bonds4

About 5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine

5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine (PubChem CID 24768513) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
PubChem CID24768513
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC Name5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1S(=O)(=O)n1cc(CCN)c2ccccc21
InChIInChI=1S/C14H16N4O2S2/c1-9-13(21-14(16)17-9)22(19,20)18-8-10(6-7-15)11-4-2-3-5-12(11)18/h2-5,8H,6-7,15H2,1H3,(H2,16,17)
InChIKeyRKTUJGHCTYYOGY-UHFFFAOYSA-N
XLogP1.73
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine (CID 24768513) is 5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1S(=O)(=O)n1cc(CCN)c2ccccc21.
What is the InChIKey of 5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
The InChIKey is RKTUJGHCTYYOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-9-13(21-14(16)17-9)22(19,20)18-8-10(6-7-15)11-4-2-3-5-12(11)18/h2-5,8H,6-7,15H2,1H3,(H2,16,17).
What are the key properties of 5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine?
5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine has a molecular weight of 336.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-aminoethyl)indol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 24768513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).