2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

C17H21N3O2S3 — CID 4155687

IUPAC2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C17H21N3O2S3/c1-12-5-2-3-7-20(12)16(22)11-23-10-15(21)19-17-18-13(9-25-17)14-6-4-8-24-14/h4,6,8-9,12H,2-3,5,7,10-11H2,1H3,(H,18,19,21)
InChIKeyIAELEAKUPOGMEY-UHFFFAOYSA-N
MW395.58 g/mol
LogP3.94
Rot. Bonds6

About 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 4155687) has the molecular formula C17H21N3O2S3 and a molecular weight of 395.58 g/mol. Its IUPAC name is 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID4155687
Molecular FormulaC17H21N3O2S3
Molecular Weight395.58 g/mol
Exact Mass395.08
IUPAC Name2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C17H21N3O2S3/c1-12-5-2-3-7-20(12)16(22)11-23-10-15(21)19-17-18-13(9-25-17)14-6-4-8-24-14/h4,6,8-9,12H,2-3,5,7,10-11H2,1H3,(H,18,19,21)
InChIKeyIAELEAKUPOGMEY-UHFFFAOYSA-N
XLogP3.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (CID 4155687) is 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is CC1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is IAELEAKUPOGMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S3/c1-12-5-2-3-7-20(12)16(22)11-23-10-15(21)19-17-18-13(9-25-17)14-6-4-8-24-14/h4,6,8-9,12H,2-3,5,7,10-11H2,1H3,(H,18,19,21).
What are the key properties of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 395.58 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4155687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).