1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea

C11H17FN4OS — CID 90804215

IUPAC1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea
SMILESCCN1CCCC(NC(=O)Nc2ncc(F)s2)C1
InChIInChI=1S/C11H17FN4OS/c1-2-16-5-3-4-8(7-16)14-10(17)15-11-13-6-9(12)18-11/h6,8H,2-5,7H2,1H3,(H2,13,14,15,17)
InChIKeyDLZVWSFVIYFBEA-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.89
Rot. Bonds3

About 1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea

1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea (PubChem CID 90804215) has the molecular formula C11H17FN4OS and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea
PubChem CID90804215
Molecular FormulaC11H17FN4OS
Molecular Weight272.35 g/mol
Exact Mass272.11
IUPAC Name1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea
SMILESCCN1CCCC(NC(=O)Nc2ncc(F)s2)C1
InChIInChI=1S/C11H17FN4OS/c1-2-16-5-3-4-8(7-16)14-10(17)15-11-13-6-9(12)18-11/h6,8H,2-5,7H2,1H3,(H2,13,14,15,17)
InChIKeyDLZVWSFVIYFBEA-UHFFFAOYSA-N
XLogP1.89
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea (CID 90804215) is 1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea is CCN1CCCC(NC(=O)Nc2ncc(F)s2)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea?
The InChIKey is DLZVWSFVIYFBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4OS/c1-2-16-5-3-4-8(7-16)14-10(17)15-11-13-6-9(12)18-11/h6,8H,2-5,7H2,1H3,(H2,13,14,15,17).
What are the key properties of 1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea?
1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea has a molecular weight of 272.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 90804215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).