[4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone

C17H19N3OS4 — CID 2816883

IUPAC[4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone
SMILESNc1c(C(=O)c2cccs2)sc2nsc(SCCN3CCCCC3)c12
InChIInChI=1S/C17H19N3OS4/c18-13-12-16(24-15(13)14(21)11-5-4-9-22-11)19-25-17(12)23-10-8-20-6-2-1-3-7-20/h4-5,9H,1-3,6-8,10,18H2
InChIKeyLRARQKZHFQICOU-UHFFFAOYSA-N
MW409.63 g/mol
LogP4.81
Rot. Bonds6

About [4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone

[4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone (PubChem CID 2816883) has the molecular formula C17H19N3OS4 and a molecular weight of 409.63 g/mol. Its IUPAC name is [4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone
PubChem CID2816883
Molecular FormulaC17H19N3OS4
Molecular Weight409.63 g/mol
Exact Mass409.04
IUPAC Name[4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone
SMILESNc1c(C(=O)c2cccs2)sc2nsc(SCCN3CCCCC3)c12
InChIInChI=1S/C17H19N3OS4/c18-13-12-16(24-15(13)14(21)11-5-4-9-22-11)19-25-17(12)23-10-8-20-6-2-1-3-7-20/h4-5,9H,1-3,6-8,10,18H2
InChIKeyLRARQKZHFQICOU-UHFFFAOYSA-N
XLogP4.81
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.63
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone (CID 2816883) is [4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone is Nc1c(C(=O)c2cccs2)sc2nsc(SCCN3CCCCC3)c12.
What is the InChIKey of [4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone?
The InChIKey is LRARQKZHFQICOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS4/c18-13-12-16(24-15(13)14(21)11-5-4-9-22-11)19-25-17(12)23-10-8-20-6-2-1-3-7-20/h4-5,9H,1-3,6-8,10,18H2.
What are the key properties of [4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone?
[4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone has a molecular weight of 409.63 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(2-piperidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 2816883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).