1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea

C17H25ClN4O2S — CID 11372552

IUPAC1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea
SMILESCC(=O)N1CCC(N(C(=O)Nc2ncc(Cl)s2)C2CCCCC2)CC1
InChIInChI=1S/C17H25ClN4O2S/c1-12(23)21-9-7-14(8-10-21)22(13-5-3-2-4-6-13)17(24)20-16-19-11-15(18)25-16/h11,13-14H,2-10H2,1H3,(H,19,20,24)
InChIKeyOKAUXKBIKSPCEH-UHFFFAOYSA-N
MW384.93 g/mol
LogP3.97
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea

1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea (PubChem CID 11372552) has the molecular formula C17H25ClN4O2S and a molecular weight of 384.93 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea
PubChem CID11372552
Molecular FormulaC17H25ClN4O2S
Molecular Weight384.93 g/mol
Exact Mass384.14
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea
SMILESCC(=O)N1CCC(N(C(=O)Nc2ncc(Cl)s2)C2CCCCC2)CC1
InChIInChI=1S/C17H25ClN4O2S/c1-12(23)21-9-7-14(8-10-21)22(13-5-3-2-4-6-13)17(24)20-16-19-11-15(18)25-16/h11,13-14H,2-10H2,1H3,(H,19,20,24)
InChIKeyOKAUXKBIKSPCEH-UHFFFAOYSA-N
XLogP3.97
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea (CID 11372552) is 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea is CC(=O)N1CCC(N(C(=O)Nc2ncc(Cl)s2)C2CCCCC2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea?
The InChIKey is OKAUXKBIKSPCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2S/c1-12(23)21-9-7-14(8-10-21)22(13-5-3-2-4-6-13)17(24)20-16-19-11-15(18)25-16/h11,13-14H,2-10H2,1H3,(H,19,20,24).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea?
1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea has a molecular weight of 384.93 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea is sourced from PubChem (CID 11372552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).