1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea

C22H37N5O3S2 — CID 87186403

IUPAC1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea
SMILESCc1nc(NC(=O)N(C2CCCCC2)C2CCCCC2)sc1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C22H37N5O3S2/c1-17-20(32(29,30)25-26-15-9-4-10-16-26)31-21(23-17)24-22(28)27(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h18-19,25H,2-16H2,1H3,(H,23,24,28)
InChIKeyCZASAUZEDICIKH-UHFFFAOYSA-N
MW483.70 g/mol
LogP4.63
Rot. Bonds6

About 1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea

1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea (PubChem CID 87186403) has the molecular formula C22H37N5O3S2 and a molecular weight of 483.70 g/mol. Its IUPAC name is 1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea
PubChem CID87186403
Molecular FormulaC22H37N5O3S2
Molecular Weight483.70 g/mol
Exact Mass483.23
IUPAC Name1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea
SMILESCc1nc(NC(=O)N(C2CCCCC2)C2CCCCC2)sc1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C22H37N5O3S2/c1-17-20(32(29,30)25-26-15-9-4-10-16-26)31-21(23-17)24-22(28)27(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h18-19,25H,2-16H2,1H3,(H,23,24,28)
InChIKeyCZASAUZEDICIKH-UHFFFAOYSA-N
XLogP4.63
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.70
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea (CID 87186403) is 1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea is Cc1nc(NC(=O)N(C2CCCCC2)C2CCCCC2)sc1S(=O)(=O)NN1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea?
The InChIKey is CZASAUZEDICIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O3S2/c1-17-20(32(29,30)25-26-15-9-4-10-16-26)31-21(23-17)24-22(28)27(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h18-19,25H,2-16H2,1H3,(H,23,24,28).
What are the key properties of 1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea?
1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea has a molecular weight of 483.70 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-3-[4-methyl-5-(piperidin-1-ylsulfamoyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 87186403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).