N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide

C10H17N3OS2 — CID 91777362

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide
SMILESCCSCC(=O)NCCCc1csc(N)n1
InChIInChI=1S/C10H17N3OS2/c1-2-15-7-9(14)12-5-3-4-8-6-16-10(11)13-8/h6H,2-5,7H2,1H3,(H2,11,13)(H,12,14)
InChIKeyZWXYLDXHFPRCAE-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.53
Rot. Bonds7

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide (PubChem CID 91777362) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide
PubChem CID91777362
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide
SMILESCCSCC(=O)NCCCc1csc(N)n1
InChIInChI=1S/C10H17N3OS2/c1-2-15-7-9(14)12-5-3-4-8-6-16-10(11)13-8/h6H,2-5,7H2,1H3,(H2,11,13)(H,12,14)
InChIKeyZWXYLDXHFPRCAE-UHFFFAOYSA-N
XLogP1.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide (CID 91777362) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide is CCSCC(=O)NCCCc1csc(N)n1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide?
The InChIKey is ZWXYLDXHFPRCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-2-15-7-9(14)12-5-3-4-8-6-16-10(11)13-8/h6H,2-5,7H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide has a molecular weight of 259.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-ethylsulfanylacetamide is sourced from PubChem (CID 91777362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).