N-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide

C7H8N2O2S2 — CID 57229378

IUPACN-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(C(=O)CS)s1
InChIInChI=1S/C7H8N2O2S2/c1-4(10)9-7-8-2-6(13-7)5(11)3-12/h2,12H,3H2,1H3,(H,8,9,10)
InChIKeyKNEZQUCAMHYHPF-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.21
Rot. Bonds3

About N-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide

N-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 57229378) has the molecular formula C7H8N2O2S2 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide
PubChem CID57229378
Molecular FormulaC7H8N2O2S2
Molecular Weight216.29 g/mol
Exact Mass216.00
IUPAC NameN-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(C(=O)CS)s1
InChIInChI=1S/C7H8N2O2S2/c1-4(10)9-7-8-2-6(13-7)5(11)3-12/h2,12H,3H2,1H3,(H,8,9,10)
InChIKeyKNEZQUCAMHYHPF-UHFFFAOYSA-N
XLogP1.21
TPSA59.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide (CID 57229378) is N-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(C(=O)CS)s1.
What is the InChIKey of N-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is KNEZQUCAMHYHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S2/c1-4(10)9-7-8-2-6(13-7)5(11)3-12/h2,12H,3H2,1H3,(H,8,9,10).
What are the key properties of N-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide?
N-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 216.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-sulfanylacetyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 57229378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).