1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea

C18H30N6OS — CID 53317856

IUPAC1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1nnc(N2CCC(N3CCCCC3)CC2)s1)NC1CCCC1
InChIInChI=1S/C18H30N6OS/c25-16(19-14-6-2-3-7-14)20-17-21-22-18(26-17)24-12-8-15(9-13-24)23-10-4-1-5-11-23/h14-15H,1-13H2,(H2,19,20,21,25)
InChIKeyUEPMBFDUHOWDCI-UHFFFAOYSA-N
MW378.55 g/mol
LogP3.06
Rot. Bonds4

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

1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 53317856) has the molecular formula C18H30N6OS and a molecular weight of 378.55 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID53317856
Molecular FormulaC18H30N6OS
Molecular Weight378.55 g/mol
Exact Mass378.22
IUPAC Name1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1nnc(N2CCC(N3CCCCC3)CC2)s1)NC1CCCC1
InChIInChI=1S/C18H30N6OS/c25-16(19-14-6-2-3-7-14)20-17-21-22-18(26-17)24-12-8-15(9-13-24)23-10-4-1-5-11-23/h14-15H,1-13H2,(H2,19,20,21,25)
InChIKeyUEPMBFDUHOWDCI-UHFFFAOYSA-N
XLogP3.06
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-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-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea (CID 53317856) is 1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea is O=C(Nc1nnc(N2CCC(N3CCCCC3)CC2)s1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is UEPMBFDUHOWDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6OS/c25-16(19-14-6-2-3-7-14)20-17-21-22-18(26-17)24-12-8-15(9-13-24)23-10-4-1-5-11-23/h14-15H,1-13H2,(H2,19,20,21,25).
What are the key properties of 1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 378.55 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 53317856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).