2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide

C10H15N3O2S2 — CID 5329682

IUPAC2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CSc1cnc(NC(C)=O)s1
InChIInChI=1S/C10H15N3O2S2/c1-4-13(3)8(15)6-16-9-5-11-10(17-9)12-7(2)14/h5H,4,6H2,1-3H3,(H,11,12,14)
InChIKeyZKNPWGYBOBLIRC-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.67
Rot. Bonds5

About 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide

2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide (PubChem CID 5329682) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide
PubChem CID5329682
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CSc1cnc(NC(C)=O)s1
InChIInChI=1S/C10H15N3O2S2/c1-4-13(3)8(15)6-16-9-5-11-10(17-9)12-7(2)14/h5H,4,6H2,1-3H3,(H,11,12,14)
InChIKeyZKNPWGYBOBLIRC-UHFFFAOYSA-N
XLogP1.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide (CID 5329682) is 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CSc1cnc(NC(C)=O)s1.
What is the InChIKey of 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide?
The InChIKey is ZKNPWGYBOBLIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-4-13(3)8(15)6-16-9-5-11-10(17-9)12-7(2)14/h5H,4,6H2,1-3H3,(H,11,12,14).
What are the key properties of 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide?
2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide has a molecular weight of 273.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 5329682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).