1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea

C18H28N4O2S — CID 41211604

IUPAC1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
SMILESCC1CCN(C(=O)Cc2csc(NC(=O)NC3CCCCC3)n2)CC1
InChIInChI=1S/C18H28N4O2S/c1-13-7-9-22(10-8-13)16(23)11-15-12-25-18(20-15)21-17(24)19-14-5-3-2-4-6-14/h12-14H,2-11H2,1H3,(H2,19,20,21,24)
InChIKeyOAAUZDYDIVGIEK-UHFFFAOYSA-N
MW364.52 g/mol
LogP3.40
Rot. Bonds4

About 1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea

1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea (PubChem CID 41211604) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
PubChem CID41211604
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
SMILESCC1CCN(C(=O)Cc2csc(NC(=O)NC3CCCCC3)n2)CC1
InChIInChI=1S/C18H28N4O2S/c1-13-7-9-22(10-8-13)16(23)11-15-12-25-18(20-15)21-17(24)19-14-5-3-2-4-6-14/h12-14H,2-11H2,1H3,(H2,19,20,21,24)
InChIKeyOAAUZDYDIVGIEK-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea (CID 41211604) is 1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea is CC1CCN(C(=O)Cc2csc(NC(=O)NC3CCCCC3)n2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea?
The InChIKey is OAAUZDYDIVGIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-13-7-9-22(10-8-13)16(23)11-15-12-25-18(20-15)21-17(24)19-14-5-3-2-4-6-14/h12-14H,2-11H2,1H3,(H2,19,20,21,24).
What are the key properties of 1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea?
1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea has a molecular weight of 364.52 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 41211604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).