3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine

C16H15ClN4O2S2 — CID 23502991

IUPAC3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine
SMILESNCCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12
InChIInChI=1S/C16H15ClN4O2S2/c17-14-15(20-8-9-24-16(20)19-14)25(22,23)21-10-11(4-3-7-18)12-5-1-2-6-13(12)21/h1-2,5-6,8-10H,3-4,7,18H2
InChIKeyTVYDRLQXQBEMKK-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.13
Rot. Bonds5

About 3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine

3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine (PubChem CID 23502991) has the molecular formula C16H15ClN4O2S2 and a molecular weight of 394.91 g/mol. Its IUPAC name is 3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine
PubChem CID23502991
Molecular FormulaC16H15ClN4O2S2
Molecular Weight394.91 g/mol
Exact Mass394.03
IUPAC Name3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine
SMILESNCCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12
InChIInChI=1S/C16H15ClN4O2S2/c17-14-15(20-8-9-24-16(20)19-14)25(22,23)21-10-11(4-3-7-18)12-5-1-2-6-13(12)21/h1-2,5-6,8-10H,3-4,7,18H2
InChIKeyTVYDRLQXQBEMKK-UHFFFAOYSA-N
XLogP3.13
TPSA82.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine?
The IUPAC name of 3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine (CID 23502991) is 3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine?
The canonical SMILES for 3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine is NCCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12.
What is the InChIKey of 3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine?
The InChIKey is TVYDRLQXQBEMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S2/c17-14-15(20-8-9-24-16(20)19-14)25(22,23)21-10-11(4-3-7-18)12-5-1-2-6-13(12)21/h1-2,5-6,8-10H,3-4,7,18H2.
What are the key properties of 3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine?
3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine has a molecular weight of 394.91 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine is sourced from PubChem (CID 23502991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).