1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea

C18H28N4O2S — CID 48595715

IUPAC1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea
SMILESCCc1ncc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)s1
InChIInChI=1S/C18H28N4O2S/c1-2-16-19-12-15(25-16)17(23)22-10-8-14(9-11-22)21-18(24)20-13-6-4-3-5-7-13/h12-14H,2-11H2,1H3,(H2,20,21,24)
InChIKeyZQZADKQHNHPNAU-UHFFFAOYSA-N
MW364.52 g/mol
LogP2.94
Rot. Bonds4

About 1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea

1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea (PubChem CID 48595715) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea
PubChem CID48595715
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea
SMILESCCc1ncc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)s1
InChIInChI=1S/C18H28N4O2S/c1-2-16-19-12-15(25-16)17(23)22-10-8-14(9-11-22)21-18(24)20-13-6-4-3-5-7-13/h12-14H,2-11H2,1H3,(H2,20,21,24)
InChIKeyZQZADKQHNHPNAU-UHFFFAOYSA-N
XLogP2.94
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea (CID 48595715) is 1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea is CCc1ncc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)s1.
What is the InChIKey of 1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea?
The InChIKey is ZQZADKQHNHPNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-2-16-19-12-15(25-16)17(23)22-10-8-14(9-11-22)21-18(24)20-13-6-4-3-5-7-13/h12-14H,2-11H2,1H3,(H2,20,21,24).
What are the key properties of 1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea?
1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea has a molecular weight of 364.52 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 48595715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).