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

C15H24N4OS — CID 71935959

IUPAC1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C15H24N4OS/c20-14(18-15-16-7-10-21-15)17-13-5-8-19(9-6-13)11-12-3-1-2-4-12/h7,10,12-13H,1-6,8-9,11H2,(H2,16,17,18,20)
InChIKeyKAHXLUZETONQBP-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.92
Rot. Bonds4

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

1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 71935959) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea
PubChem CID71935959
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C15H24N4OS/c20-14(18-15-16-7-10-21-15)17-13-5-8-19(9-6-13)11-12-3-1-2-4-12/h7,10,12-13H,1-6,8-9,11H2,(H2,16,17,18,20)
InChIKeyKAHXLUZETONQBP-UHFFFAOYSA-N
XLogP2.92
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea (CID 71935959) is 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)NC1CCN(CC2CCCC2)CC1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is KAHXLUZETONQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c20-14(18-15-16-7-10-21-15)17-13-5-8-19(9-6-13)11-12-3-1-2-4-12/h7,10,12-13H,1-6,8-9,11H2,(H2,16,17,18,20).
What are the key properties of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea?
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 308.45 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71935959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).