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

C10H11N3O2S2 — CID 113431348

IUPAC2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NCc1ccno1
InChIInChI=1S/C10H11N3O2S2/c1-6-8(17-10(16)13-6)4-9(14)11-5-7-2-3-12-15-7/h2-3H,4-5H2,1H3,(H,11,14)(H,13,16)
InChIKeyDMPBSYGUNDOHIT-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.96
Rot. Bonds4

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

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide (PubChem CID 113431348) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide
PubChem CID113431348
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NCc1ccno1
InChIInChI=1S/C10H11N3O2S2/c1-6-8(17-10(16)13-6)4-9(14)11-5-7-2-3-12-15-7/h2-3H,4-5H2,1H3,(H,11,14)(H,13,16)
InChIKeyDMPBSYGUNDOHIT-UHFFFAOYSA-N
XLogP1.96
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1,2-oxazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide (CID 113431348) is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NCc1ccno1.
What is the InChIKey of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide?
The InChIKey is DMPBSYGUNDOHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-6-8(17-10(16)13-6)4-9(14)11-5-7-2-3-12-15-7/h2-3H,4-5H2,1H3,(H,11,14)(H,13,16).
What are the key properties of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide?
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide is sourced from PubChem (CID 113431348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).