2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide

C14H23N3O2S2 — CID 50974098

IUPAC2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide
SMILESCCSc1nc(CC(=O)NCCN2CCC(O)CC2)cs1
InChIInChI=1S/C14H23N3O2S2/c1-2-20-14-16-11(10-21-14)9-13(19)15-5-8-17-6-3-12(18)4-7-17/h10,12,18H,2-9H2,1H3,(H,15,19)
InChIKeyRJWAKALQLFSYPZ-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.37
Rot. Bonds7

About 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide (PubChem CID 50974098) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide
PubChem CID50974098
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide
SMILESCCSc1nc(CC(=O)NCCN2CCC(O)CC2)cs1
InChIInChI=1S/C14H23N3O2S2/c1-2-20-14-16-11(10-21-14)9-13(19)15-5-8-17-6-3-12(18)4-7-17/h10,12,18H,2-9H2,1H3,(H,15,19)
InChIKeyRJWAKALQLFSYPZ-UHFFFAOYSA-N
XLogP1.37
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide (CID 50974098) is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide is CCSc1nc(CC(=O)NCCN2CCC(O)CC2)cs1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide?
The InChIKey is RJWAKALQLFSYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-2-20-14-16-11(10-21-14)9-13(19)15-5-8-17-6-3-12(18)4-7-17/h10,12,18H,2-9H2,1H3,(H,15,19).
What are the key properties of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide?
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide has a molecular weight of 329.49 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 50974098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).