2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide

C9H11N3O2S2 — CID 717389

IUPAC2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(=S)N1CCOCC1
InChIInChI=1S/C9H11N3O2S2/c13-7(11-9-10-1-6-16-9)8(15)12-2-4-14-5-3-12/h1,6H,2-5H2,(H,10,11,13)
InChIKeyXSEWWRUEFRGTNN-UHFFFAOYSA-N
MW257.34 g/mol
LogP0.74
Rot. Bonds1

About 2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide

2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 717389) has the molecular formula C9H11N3O2S2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide
PubChem CID717389
Molecular FormulaC9H11N3O2S2
Molecular Weight257.34 g/mol
Exact Mass257.03
IUPAC Name2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(=S)N1CCOCC1
InChIInChI=1S/C9H11N3O2S2/c13-7(11-9-10-1-6-16-9)8(15)12-2-4-14-5-3-12/h1,6H,2-5H2,(H,10,11,13)
InChIKeyXSEWWRUEFRGTNN-UHFFFAOYSA-N
XLogP0.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-morpholin-4-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 1948390
O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate
CID 2345751
Ethyl 2-oxo-2-(1,3-thiazol-2-ylamino)acetate
CID 1714008
N1-(3-methoxypropyl)-N2-(thiazol-2-yl)oxalamide
CID 5061851
2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl 4-morpholinecarbodithioate
CID 900890
2-(Dimethylamino)-N-2-thiazolylacetamide
CID 12562481
N-2-Thiazolyl-4-morpholineacetamide
CID 687268
N-(5-Chloro-1,3-thiazol-2-yl)-2-(morpholin-4-yl)ethanimidic acid--hydrogen chloride (1/1)
CID 215125
2-(Piperazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide--hydrogen chloride (1/2)
CID 44119132
4-(Thiazol-2-ylcarbamoylmethyl)-piperazine-1-carboxylic acid ethyl ester
CID 6498214
N-carbamoyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29440114
1-(2-Methyl-2-morpholin-4-ylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 45806143

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide (CID 717389) is 2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(=S)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XSEWWRUEFRGTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S2/c13-7(11-9-10-1-6-16-9)8(15)12-2-4-14-5-3-12/h1,6H,2-5H2,(H,10,11,13).
What are the key properties of 2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide?
2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 717389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).