1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea

C9H15N5OS — CID 47349256

IUPAC1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCN1CCCC(NC(=O)Nc2nncs2)C1
InChIInChI=1S/C9H15N5OS/c1-14-4-2-3-7(5-14)11-8(15)12-9-13-10-6-16-9/h6-7H,2-5H2,1H3,(H2,11,12,13,15)
InChIKeyRLCZUEBBDJMGSU-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.75
Rot. Bonds2

About 1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea

1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 47349256) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID47349256
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCN1CCCC(NC(=O)Nc2nncs2)C1
InChIInChI=1S/C9H15N5OS/c1-14-4-2-3-7(5-14)11-8(15)12-9-13-10-6-16-9/h6-7H,2-5H2,1H3,(H2,11,12,13,15)
InChIKeyRLCZUEBBDJMGSU-UHFFFAOYSA-N
XLogP0.75
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylpiperidin-3-yl)-3-(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

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea (CID 47349256) is 1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea is CN1CCCC(NC(=O)Nc2nncs2)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is RLCZUEBBDJMGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-14-4-2-3-7(5-14)11-8(15)12-9-13-10-6-16-9/h6-7H,2-5H2,1H3,(H2,11,12,13,15).
What are the key properties of 1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 241.32 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 47349256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).