1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea

C15H24N4OS — CID 11415605

IUPAC1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)N(C1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H24N4OS/c20-15(17-14-16-9-12-21-14)19(13-7-3-1-4-8-13)18-10-5-2-6-11-18/h9,12-13H,1-8,10-11H2,(H,16,17,20)
InChIKeyBHRMXXRWRMFCKQ-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.71
Rot. Bonds3

About 1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea

1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea (PubChem CID 11415605) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea
PubChem CID11415605
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)N(C1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H24N4OS/c20-15(17-14-16-9-12-21-14)19(13-7-3-1-4-8-13)18-10-5-2-6-11-18/h9,12-13H,1-8,10-11H2,(H,16,17,20)
InChIKeyBHRMXXRWRMFCKQ-UHFFFAOYSA-N
XLogP3.71
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea (CID 11415605) is 1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)N(C1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea?
The InChIKey is BHRMXXRWRMFCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c20-15(17-14-16-9-12-21-14)19(13-7-3-1-4-8-13)18-10-5-2-6-11-18/h9,12-13H,1-8,10-11H2,(H,16,17,20).
What are the key properties of 1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea?
1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea has a molecular weight of 308.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-piperidin-1-yl-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 11415605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).