1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

C11H16F3N5OS — CID 31015653

IUPAC1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(NCCN1CCCCC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H16F3N5OS/c12-11(13,14)8-17-18-10(21-8)16-9(20)15-4-7-19-5-2-1-3-6-19/h1-7H2,(H2,15,16,18,20)
InChIKeyMUHQBSYMJRWMMK-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.16
Rot. Bonds4

About 1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 31015653) has the molecular formula C11H16F3N5OS and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID31015653
Molecular FormulaC11H16F3N5OS
Molecular Weight323.34 g/mol
Exact Mass323.10
IUPAC Name1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(NCCN1CCCCC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H16F3N5OS/c12-11(13,14)8-17-18-10(21-8)16-9(20)15-4-7-19-5-2-1-3-6-19/h1-7H2,(H2,15,16,18,20)
InChIKeyMUHQBSYMJRWMMK-UHFFFAOYSA-N
XLogP2.16
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-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-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (CID 31015653) is 1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is O=C(NCCN1CCCCC1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is MUHQBSYMJRWMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5OS/c12-11(13,14)8-17-18-10(21-8)16-9(20)15-4-7-19-5-2-1-3-6-19/h1-7H2,(H2,15,16,18,20).
What are the key properties of 1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 323.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 31015653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).