1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea

C17H26N4OS — CID 71863048

IUPAC1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nc(C2CC2)cs1)NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H26N4OS/c22-16(20-17-19-15(11-23-17)12-5-6-12)18-13-7-9-21(10-8-13)14-3-1-2-4-14/h11-14H,1-10H2,(H2,18,19,20,22)
InChIKeyQEKLMXSIYWECST-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.55
Rot. Bonds4

About 1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea

1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea (PubChem CID 71863048) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea
PubChem CID71863048
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nc(C2CC2)cs1)NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H26N4OS/c22-16(20-17-19-15(11-23-17)12-5-6-12)18-13-7-9-21(10-8-13)14-3-1-2-4-14/h11-14H,1-10H2,(H2,18,19,20,22)
InChIKeyQEKLMXSIYWECST-UHFFFAOYSA-N
XLogP3.55
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 47200521
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CID 71870196
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CID 96568434
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CID 10732857

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea (CID 71863048) is 1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea is O=C(Nc1nc(C2CC2)cs1)NC1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea?
The InChIKey is QEKLMXSIYWECST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c22-16(20-17-19-15(11-23-17)12-5-6-12)18-13-7-9-21(10-8-13)14-3-1-2-4-14/h11-14H,1-10H2,(H2,18,19,20,22).
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea?
1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea has a molecular weight of 334.49 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71863048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).