2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

C16H19N3O2S3 — CID 2158847

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C16H19N3O2S3/c20-14(10-22-11-15(21)19-6-2-1-3-7-19)18-16-17-12(9-24-16)13-5-4-8-23-13/h4-5,8-9H,1-3,6-7,10-11H2,(H,17,18,20)
InChIKeyRPWZZCTUIDMQCF-UHFFFAOYSA-N
MW381.55 g/mol
LogP3.56
Rot. Bonds6

About 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 2158847) has the molecular formula C16H19N3O2S3 and a molecular weight of 381.55 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID2158847
Molecular FormulaC16H19N3O2S3
Molecular Weight381.55 g/mol
Exact Mass381.06
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C16H19N3O2S3/c20-14(10-22-11-15(21)19-6-2-1-3-7-19)18-16-17-12(9-24-16)13-5-4-8-23-13/h4-5,8-9H,1-3,6-7,10-11H2,(H,17,18,20)
InChIKeyRPWZZCTUIDMQCF-UHFFFAOYSA-N
XLogP3.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (CID 2158847) is 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is O=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is RPWZZCTUIDMQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S3/c20-14(10-22-11-15(21)19-6-2-1-3-7-19)18-16-17-12(9-24-16)13-5-4-8-23-13/h4-5,8-9H,1-3,6-7,10-11H2,(H,17,18,20).
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 381.55 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2158847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).