2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide

C11H16N2O2S3 — CID 104580826

IUPAC2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC1CCS(=O)CC1
InChIInChI=1S/C11H16N2O2S3/c1-7-9(17-11(16)12-7)6-10(14)13-8-2-4-18(15)5-3-8/h8H,2-6H2,1H3,(H,12,16)(H,13,14)
InChIKeyVGOLPLIWGYNKJV-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.68
Rot. Bonds3

About 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide (PubChem CID 104580826) has the molecular formula C11H16N2O2S3 and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide
PubChem CID104580826
Molecular FormulaC11H16N2O2S3
Molecular Weight304.46 g/mol
Exact Mass304.04
IUPAC Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC1CCS(=O)CC1
InChIInChI=1S/C11H16N2O2S3/c1-7-9(17-11(16)12-7)6-10(14)13-8-2-4-18(15)5-3-8/h8H,2-6H2,1H3,(H,12,16)(H,13,14)
InChIKeyVGOLPLIWGYNKJV-UHFFFAOYSA-N
XLogP1.68
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide?
The IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide (CID 104580826) is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide?
The canonical SMILES for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NC1CCS(=O)CC1.
What is the InChIKey of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide?
The InChIKey is VGOLPLIWGYNKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S3/c1-7-9(17-11(16)12-7)6-10(14)13-8-2-4-18(15)5-3-8/h8H,2-6H2,1H3,(H,12,16)(H,13,14).
What are the key properties of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide?
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide has a molecular weight of 304.46 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide is sourced from PubChem (CID 104580826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).