1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea

C15H26N4O2S — CID 72129756

IUPAC1-[1-(2-methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
SMILESCCC(C1=NC=CS1)NC(=O)NC2CCCN(C2)CCOC
InChIInChI=1S/C15H26N4O2S/c1-3-13(14-16-6-10-22-14)18-15(20)17-12-5-4-7-19(11-12)8-9-21-2/h6,10,12-13H,3-5,7-9,11H2,1-2H3,(H2,17,18,20)
InChIKeyPJNIBFUXGIZGDO-UHFFFAOYSA-N
MW326.50 g/mol
LogP1.30
Rot. Bonds7

About 1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea

1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 72129756) has the molecular formula C15H26N4O2S and a molecular weight of 326.50 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
PubChem CID72129756
Molecular FormulaC15H26N4O2S
Molecular Weight326.50 g/mol
Exact Mass326.18
IUPAC Name1-[1-(2-methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
SMILESCCC(C1=NC=CS1)NC(=O)NC2CCCN(C2)CCOC
InChIInChI=1S/C15H26N4O2S/c1-3-13(14-16-6-10-22-14)18-15(20)17-12-5-4-7-19(11-12)8-9-21-2/h6,10,12-13H,3-5,7-9,11H2,1-2H3,(H2,17,18,20)
InChIKeyPJNIBFUXGIZGDO-UHFFFAOYSA-N
XLogP1.30
TPSA94.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity346

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.50
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea (CID 72129756) is 1-[1-(2-methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea is CCC(C1=NC=CS1)NC(=O)NC2CCCN(C2)CCOC.
What is the InChIKey of 1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is PJNIBFUXGIZGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-3-13(14-16-6-10-22-14)18-15(20)17-12-5-4-7-19(11-12)8-9-21-2/h6,10,12-13H,3-5,7-9,11H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea?
1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 326.50 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 72129756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).