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

C14H23N3OS2 — CID 114627994

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCCc1cnc(C(C)NC(=O)CSC2CCNCC2)s1
InChIInChI=1S/C14H23N3OS2/c1-3-11-8-16-14(20-11)10(2)17-13(18)9-19-12-4-6-15-7-5-12/h8,10,12,15H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyQOXJZDUEKIRAGN-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.37
Rot. Bonds6

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

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627994) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627994
Molecular FormulaC14H23N3OS2
Molecular Weight313.49 g/mol
Exact Mass313.13
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCCc1cnc(C(C)NC(=O)CSC2CCNCC2)s1
InChIInChI=1S/C14H23N3OS2/c1-3-11-8-16-14(20-11)10(2)17-13(18)9-19-12-4-6-15-7-5-12/h8,10,12,15H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyQOXJZDUEKIRAGN-UHFFFAOYSA-N
XLogP2.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylacetamide
CID 124576184
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 113267211
(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 113264319
N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114628101
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 112701958
(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103812633
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740581
2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112701971
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246
N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide
CID 91645938
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 115679370
1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea
CID 99792957

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide (CID 114627994) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide is CCc1cnc(C(C)NC(=O)CSC2CCNCC2)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is QOXJZDUEKIRAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-3-11-8-16-14(20-11)10(2)17-13(18)9-19-12-4-6-15-7-5-12/h8,10,12,15H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 313.49 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).