1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea

C22H30N4O3S — CID 53187036

IUPAC1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea
SMILESCC1=C(c2ccccc2)S(=O)(=O)N=C1N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H30N4O3S/c1-16-20(17-8-4-2-5-9-17)30(28,29)25-21(16)26-14-12-19(13-15-26)24-22(27)23-18-10-6-3-7-11-18/h2,4-5,8-9,18-19H,3,6-7,10-15H2,1H3,(H2,23,24,27)
InChIKeyXYJKJGNPFLLTIC-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.26
Rot. Bonds3

About 1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea

1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea (PubChem CID 53187036) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea
PubChem CID53187036
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea
SMILESCC1=C(c2ccccc2)S(=O)(=O)N=C1N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H30N4O3S/c1-16-20(17-8-4-2-5-9-17)30(28,29)25-21(16)26-14-12-19(13-15-26)24-22(27)23-18-10-6-3-7-11-18/h2,4-5,8-9,18-19H,3,6-7,10-15H2,1H3,(H2,23,24,27)
InChIKeyXYJKJGNPFLLTIC-UHFFFAOYSA-N
XLogP3.26
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide
CID 53187132
methyl 2-[[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]carbamoylamino]propanoate
CID 53186992
N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]-2-phenylpropanamide
CID 53171349
N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 53171335
N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]-2-thiophen-3-ylacetamide
CID 53171348
1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
CID 53187057
1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
CID 53187044
N-[1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]pyridine-2-carboxamide
CID 53171324
(2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide
CID 95102098
1-(3-methoxypropyl)-3-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]urea
CID 53187001
1-butan-2-yl-3-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]urea
CID 53187039
1-[1-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-(3-methylbutyl)urea
CID 53187016

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea (CID 53187036) is 1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea is CC1=C(c2ccccc2)S(=O)(=O)N=C1N1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea?
The InChIKey is XYJKJGNPFLLTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-16-20(17-8-4-2-5-9-17)30(28,29)25-21(16)26-14-12-19(13-15-26)24-22(27)23-18-10-6-3-7-11-18/h2,4-5,8-9,18-19H,3,6-7,10-15H2,1H3,(H2,23,24,27).
What are the key properties of 1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea?
1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea has a molecular weight of 430.57 g/mol, XLogP of 3.26, 3 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-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea is sourced from PubChem (CID 53187036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).