1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea

C10H17N5O3S2 — CID 49111277

IUPAC1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCc1nnc(NC(=O)NCCN2CCCS2(=O)=O)s1
InChIInChI=1S/C10H17N5O3S2/c1-2-8-13-14-10(19-8)12-9(16)11-4-6-15-5-3-7-20(15,17)18/h2-7H2,1H3,(H2,11,12,14,16)
InChIKeyDZSCNPUMUNGUMN-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.26
Rot. Bonds5

About 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea

1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 49111277) has the molecular formula C10H17N5O3S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID49111277
Molecular FormulaC10H17N5O3S2
Molecular Weight319.41 g/mol
Exact Mass319.08
IUPAC Name1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCc1nnc(NC(=O)NCCN2CCCS2(=O)=O)s1
InChIInChI=1S/C10H17N5O3S2/c1-2-8-13-14-10(19-8)12-9(16)11-4-6-15-5-3-7-20(15,17)18/h2-7H2,1H3,(H2,11,12,14,16)
InChIKeyDZSCNPUMUNGUMN-UHFFFAOYSA-N
XLogP0.26
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea 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

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 19259082
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 18096126
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
CID 110720874
2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid
CID 107642562
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093494
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 45205978
2-[[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107642508
1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199526
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 6621602
1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 47196092
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea (CID 49111277) is 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea is CCc1nnc(NC(=O)NCCN2CCCS2(=O)=O)s1.
What is the InChIKey of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is DZSCNPUMUNGUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S2/c1-2-8-13-14-10(19-8)12-9(16)11-4-6-15-5-3-7-20(15,17)18/h2-7H2,1H3,(H2,11,12,14,16).
What are the key properties of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 319.41 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 49111277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).