1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea

C10H15N5O2S — CID 45205978

IUPAC1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
SMILESCCc1nnc(NC(=O)NC2CCN(C)C2=O)s1
InChIInChI=1S/C10H15N5O2S/c1-3-7-13-14-10(18-7)12-9(17)11-6-4-5-15(2)8(6)16/h6H,3-5H2,1-2H3,(H2,11,12,14,17)
InChIKeyYSRZXEMFIKSWOI-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.45
Rot. Bonds3

About 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea (PubChem CID 45205978) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
PubChem CID45205978
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
SMILESCCc1nnc(NC(=O)NC2CCN(C)C2=O)s1
InChIInChI=1S/C10H15N5O2S/c1-3-7-13-14-10(18-7)12-9(17)11-6-4-5-15(2)8(6)16/h6H,3-5H2,1-2H3,(H2,11,12,14,17)
InChIKeyYSRZXEMFIKSWOI-UHFFFAOYSA-N
XLogP0.45
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-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-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 31125962
1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 47196092
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea
CID 110932980
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473146
3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide
CID 106256271
trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
2-[[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107642508
2-(2-aminoethoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 103810783
4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258149
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-ylpropanamide
CID 19256692
1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 656355

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea (CID 45205978) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea is CCc1nnc(NC(=O)NC2CCN(C)C2=O)s1.
What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The InChIKey is YSRZXEMFIKSWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-3-7-13-14-10(18-7)12-9(17)11-6-4-5-15(2)8(6)16/h6H,3-5H2,1-2H3,(H2,11,12,14,17).
What are the key properties of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea has a molecular weight of 269.33 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 45205978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).