1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

C9H14N4O3S2 — CID 127492916

IUPAC1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)NCC2CCCS2(=O)=O)s1
InChIInChI=1S/C9H14N4O3S2/c1-6-12-13-9(17-6)11-8(14)10-5-7-3-2-4-18(7,15)16/h7H,2-5H2,1H3,(H2,10,11,13,14)
InChIKeyYUKDNJICWHDJJA-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.55
Rot. Bonds3

About 1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 127492916) has the molecular formula C9H14N4O3S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID127492916
Molecular FormulaC9H14N4O3S2
Molecular Weight290.37 g/mol
Exact Mass290.05
IUPAC Name1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)NCC2CCCS2(=O)=O)s1
InChIInChI=1S/C9H14N4O3S2/c1-6-12-13-9(17-6)11-8(14)10-5-7-3-2-4-18(7,15)16/h7H,2-5H2,1H3,(H2,10,11,13,14)
InChIKeyYUKDNJICWHDJJA-UHFFFAOYSA-N
XLogP0.55
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-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

4-[[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 104963974
1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 21417198
1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-[(2S)-5-methylhexan-2-yl]urea
CID 97080784
2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4170492
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103787685
1-butyl-3-[[(2S)-1,1-dioxothiolan-2-yl]methyl]urea
CID 97027617
ethyl N-[(1,1-dioxothiolan-2-yl)methyl]carbamate
CID 81046471
1-(3-aminophenyl)-3-[(1,1-dioxothiolan-2-yl)methyl]urea
CID 81039941
ethyl 4-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116698164
1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 47197734
1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea
CID 97082977
N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 81040165

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (CID 127492916) is 1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is Cc1nnc(NC(=O)NCC2CCCS2(=O)=O)s1.
What is the InChIKey of 1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is YUKDNJICWHDJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S2/c1-6-12-13-9(17-6)11-8(14)10-5-7-3-2-4-18(7,15)16/h7H,2-5H2,1H3,(H2,10,11,13,14).
What are the key properties of 1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 290.37 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 127492916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).