N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide

C13H21N3OS2 — CID 114627325

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCCc1nc(NC(=O)CSC2CCNCC2)sc1C
InChIInChI=1S/C13H21N3OS2/c1-3-11-9(2)19-13(15-11)16-12(17)8-18-10-4-6-14-7-5-10/h10,14H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyFDXFYTGBBNMOJW-UHFFFAOYSA-N
MW299.47 g/mol
LogP2.44
Rot. Bonds5

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627325) has the molecular formula C13H21N3OS2 and a molecular weight of 299.47 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627325
Molecular FormulaC13H21N3OS2
Molecular Weight299.47 g/mol
Exact Mass299.11
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCCc1nc(NC(=O)CSC2CCNCC2)sc1C
InChIInChI=1S/C13H21N3OS2/c1-3-11-9(2)19-13(15-11)16-12(17)8-18-10-4-6-14-7-5-10/h10,14H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyFDXFYTGBBNMOJW-UHFFFAOYSA-N
XLogP2.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide (CID 114627325) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide is CCc1nc(NC(=O)CSC2CCNCC2)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is FDXFYTGBBNMOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS2/c1-3-11-9(2)19-13(15-11)16-12(17)8-18-10-4-6-14-7-5-10/h10,14H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 299.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).