1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea

C10H16N4O2S — CID 99836112

IUPAC1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea
SMILESCC(C)(O)CN(C(=O)Nc1cnns1)C1CC1
InChIInChI=1S/C10H16N4O2S/c1-10(2,16)6-14(7-3-4-7)9(15)12-8-5-11-13-17-8/h5,7,16H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyJXPQJYWFVIJJBB-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.31
Rot. Bonds4

About 1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea

1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea (PubChem CID 99836112) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea
PubChem CID99836112
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea
SMILESCC(C)(O)CN(C(=O)Nc1cnns1)C1CC1
InChIInChI=1S/C10H16N4O2S/c1-10(2,16)6-14(7-3-4-7)9(15)12-8-5-11-13-17-8/h5,7,16H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyJXPQJYWFVIJJBB-UHFFFAOYSA-N
XLogP1.31
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea (CID 99836112) is 1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea is CC(C)(O)CN(C(=O)Nc1cnns1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea?
The InChIKey is JXPQJYWFVIJJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-10(2,16)6-14(7-3-4-7)9(15)12-8-5-11-13-17-8/h5,7,16H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of 1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea?
1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea has a molecular weight of 256.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 99836112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).