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

C14H22N4OS — CID 71810060

IUPAC1-cyclopentyl-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
SMILESO=C(NC1CCCC1)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C14H22N4OS/c19-13(16-11-3-1-2-4-11)17-12-5-8-18(9-6-12)14-15-7-10-20-14/h7,10-12H,1-6,8-9H2,(H2,16,17,19)
InChIKeyLEYIRHFJSAHJRX-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.35
Rot. Bonds3

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

1-cyclopentyl-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea (PubChem CID 71810060) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
PubChem CID71810060
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1-cyclopentyl-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
SMILESO=C(NC1CCCC1)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C14H22N4OS/c19-13(16-11-3-1-2-4-11)17-12-5-8-18(9-6-12)14-15-7-10-20-14/h7,10-12H,1-6,8-9H2,(H2,16,17,19)
InChIKeyLEYIRHFJSAHJRX-UHFFFAOYSA-N
XLogP2.35
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea (CID 71810060) is 1-cyclopentyl-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea is O=C(NC1CCCC1)NC1CCN(c2nccs2)CC1.
What is the InChIKey of 1-cyclopentyl-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
The InChIKey is LEYIRHFJSAHJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c19-13(16-11-3-1-2-4-11)17-12-5-8-18(9-6-12)14-15-7-10-20-14/h7,10-12H,1-6,8-9H2,(H2,16,17,19).
What are the key properties of 1-cyclopentyl-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
1-cyclopentyl-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea has a molecular weight of 294.42 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 71810060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).