N-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide

C7H10N2O2S2 — CID 45147053

IUPACN-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
SMILESCCN1C(=O)C(NC(C)=O)SC1=S
InChIInChI=1S/C7H10N2O2S2/c1-3-9-6(11)5(8-4(2)10)13-7(9)12/h5H,3H2,1-2H3,(H,8,10)
InChIKeyJSKBKOBLLSPTRQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.33
Rot. Bonds2

About N-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide

N-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide (PubChem CID 45147053) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
PubChem CID45147053
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC NameN-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
SMILESCCN1C(=O)C(NC(C)=O)SC1=S
InChIInChI=1S/C7H10N2O2S2/c1-3-9-6(11)5(8-4(2)10)13-7(9)12/h5H,3H2,1-2H3,(H,8,10)
InChIKeyJSKBKOBLLSPTRQ-UHFFFAOYSA-N
XLogP0.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 130019502
3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3482243
2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 18892023
N-(2-bromophenyl)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 18892032
3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propylpropanamide
CID 17033696
3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
CID 4712804
1,3-diethyl-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 59065440
N-(4-acetamidophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033488
3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 7344580
(5S)-3-ethyl-5-[(2R)-3-ethyl-4,5-dimethyl-2,3-dihydro-1,3-thiazol-3-ium-2-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7258186
N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9179124
2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18892030

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide (CID 45147053) is N-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide is CCN1C(=O)C(NC(C)=O)SC1=S.
What is the InChIKey of N-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is JSKBKOBLLSPTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-3-9-6(11)5(8-4(2)10)13-7(9)12/h5H,3H2,1-2H3,(H,8,10).
What are the key properties of N-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
N-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 218.30 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 45147053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).