N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C10H14N4O2S2 — CID 18093494

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCc1nnc(NC(=O)CCN2CCSC2=O)s1
InChIInChI=1S/C10H14N4O2S2/c1-2-8-12-13-9(18-8)11-7(15)3-4-14-5-6-17-10(14)16/h2-6H2,1H3,(H,11,13,15)
InChIKeyYEDFCMNXNYTLGH-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.60
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 18093494) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID18093494
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCc1nnc(NC(=O)CCN2CCSC2=O)s1
InChIInChI=1S/C10H14N4O2S2/c1-2-8-12-13-9(18-8)11-7(15)3-4-14-5-6-17-10(14)16/h2-6H2,1H3,(H,11,13,15)
InChIKeyYEDFCMNXNYTLGH-UHFFFAOYSA-N
XLogP1.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093634
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17452434
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18126299
4-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 940949
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 124755959
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55513060
3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 124757749
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)propanamide
CID 91833836
3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 74912540
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 18093494) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CCc1nnc(NC(=O)CCN2CCSC2=O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is YEDFCMNXNYTLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-2-8-12-13-9(18-8)11-7(15)3-4-14-5-6-17-10(14)16/h2-6H2,1H3,(H,11,13,15).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 18093494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).