4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine

C18H19N3O2S3 — CID 24603229

IUPAC4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(NCCc4cccs4)n3)ccc21
InChIInChI=1S/C18H19N3O2S3/c1-26(22,23)21-9-7-14-11-13(4-5-17(14)21)16-12-25-18(20-16)19-8-6-15-3-2-10-24-15/h2-5,10-12H,6-9H2,1H3,(H,19,20)
InChIKeyHMSOHJLGCDDESC-UHFFFAOYSA-N
MW405.57 g/mol
LogP3.85
Rot. Bonds6

About 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine

4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine (PubChem CID 24603229) has the molecular formula C18H19N3O2S3 and a molecular weight of 405.57 g/mol. Its IUPAC name is 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
PubChem CID24603229
Molecular FormulaC18H19N3O2S3
Molecular Weight405.57 g/mol
Exact Mass405.06
IUPAC Name4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(NCCc4cccs4)n3)ccc21
InChIInChI=1S/C18H19N3O2S3/c1-26(22,23)21-9-7-14-11-13(4-5-17(14)21)16-12-25-18(20-16)19-8-6-15-3-2-10-24-15/h2-5,10-12H,6-9H2,1H3,(H,19,20)
InChIKeyHMSOHJLGCDDESC-UHFFFAOYSA-N
XLogP3.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine (CID 24603229) is 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine is CS(=O)(=O)N1CCc2cc(-c3csc(NCCc4cccs4)n3)ccc21.
What is the InChIKey of 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is HMSOHJLGCDDESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S3/c1-26(22,23)21-9-7-14-11-13(4-5-17(14)21)16-12-25-18(20-16)19-8-6-15-3-2-10-24-15/h2-5,10-12H,6-9H2,1H3,(H,19,20).
What are the key properties of 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 405.57 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24603229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).