1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea

C16H24N4O2S — CID 27545802

IUPAC1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1nc(CC(=O)N2CCCCC2)cs1)NC1CCCC1
InChIInChI=1S/C16H24N4O2S/c21-14(20-8-4-1-5-9-20)10-13-11-23-16(18-13)19-15(22)17-12-6-2-3-7-12/h11-12H,1-10H2,(H2,17,18,19,22)
InChIKeyJPVSDSAIYSWCND-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.76
Rot. Bonds4

About 1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea

1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea (PubChem CID 27545802) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
PubChem CID27545802
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1nc(CC(=O)N2CCCCC2)cs1)NC1CCCC1
InChIInChI=1S/C16H24N4O2S/c21-14(20-8-4-1-5-9-20)10-13-11-23-16(18-13)19-15(22)17-12-6-2-3-7-12/h11-12H,1-10H2,(H2,17,18,19,22)
InChIKeyJPVSDSAIYSWCND-UHFFFAOYSA-N
XLogP2.76
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea (CID 27545802) is 1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea is O=C(Nc1nc(CC(=O)N2CCCCC2)cs1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is JPVSDSAIYSWCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c21-14(20-8-4-1-5-9-20)10-13-11-23-16(18-13)19-15(22)17-12-6-2-3-7-12/h11-12H,1-10H2,(H2,17,18,19,22).
What are the key properties of 1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea?
1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 336.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 27545802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).