1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea

C19H32N4OS — CID 5310349

IUPAC1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea
SMILESCC(NC(=O)NC1CCCCC1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C19H32N4OS/c1-15(20-19(24)21-16-7-4-3-5-8-16)18(17-9-6-14-25-17)23-12-10-22(2)11-13-23/h6,9,14-16,18H,3-5,7-8,10-13H2,1-2H3,(H2,20,21,24)
InChIKeyOLUIHRKTRXGAOK-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.06
Rot. Bonds5

About 1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea

1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea (PubChem CID 5310349) has the molecular formula C19H32N4OS and a molecular weight of 364.56 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea
PubChem CID5310349
Molecular FormulaC19H32N4OS
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC Name1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea
SMILESCC(NC(=O)NC1CCCCC1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C19H32N4OS/c1-15(20-19(24)21-16-7-4-3-5-8-16)18(17-9-6-14-25-17)23-12-10-22(2)11-13-23/h6,9,14-16,18H,3-5,7-8,10-13H2,1-2H3,(H2,20,21,24)
InChIKeyOLUIHRKTRXGAOK-UHFFFAOYSA-N
XLogP3.06
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea (CID 5310349) is 1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea is CC(NC(=O)NC1CCCCC1)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea?
The InChIKey is OLUIHRKTRXGAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS/c1-15(20-19(24)21-16-7-4-3-5-8-16)18(17-9-6-14-25-17)23-12-10-22(2)11-13-23/h6,9,14-16,18H,3-5,7-8,10-13H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea?
1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea has a molecular weight of 364.56 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]urea is sourced from PubChem (CID 5310349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).