1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea

C21H32N4O2S — CID 8654290

IUPAC1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea
SMILESS=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)NC1CCCCC1
InChIInChI=1S/C21H32N4O2S/c28-21(22-17-4-2-1-3-5-17)23-19-7-6-18(24-8-12-26-13-9-24)16-20(19)25-10-14-27-15-11-25/h6-7,16-17H,1-5,8-15H2,(H2,22,23,28)
InChIKeyRATXXJPGHNPMOR-UHFFFAOYSA-N
MW404.58 g/mol
LogP2.98
Rot. Bonds4

About 1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea

1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea (PubChem CID 8654290) has the molecular formula C21H32N4O2S and a molecular weight of 404.58 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea
PubChem CID8654290
Molecular FormulaC21H32N4O2S
Molecular Weight404.58 g/mol
Exact Mass404.22
IUPAC Name1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea
SMILESS=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)NC1CCCCC1
InChIInChI=1S/C21H32N4O2S/c28-21(22-17-4-2-1-3-5-17)23-19-7-6-18(24-8-12-26-13-9-24)16-20(19)25-10-14-27-15-11-25/h6-7,16-17H,1-5,8-15H2,(H2,22,23,28)
InChIKeyRATXXJPGHNPMOR-UHFFFAOYSA-N
XLogP2.98
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimorpholin-4-ylphenyl)-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8654348
1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea
CID 8654277
1-cyclopropyl-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)thiourea
CID 17380861
N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 112761839
1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea
CID 8625596
1-cyclohexyl-3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]thiourea
CID 100790971
5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573
1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 2210495
1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea
CID 94591469
1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea
CID 24614846
N-cyclohexyl-2-[2-(4-morpholin-4-ylanilino)-2-oxoethoxy]acetamide
CID 35269451
4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide
CID 119900958

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea (CID 8654290) is 1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea is S=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea?
The InChIKey is RATXXJPGHNPMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2S/c28-21(22-17-4-2-1-3-5-17)23-19-7-6-18(24-8-12-26-13-9-24)16-20(19)25-10-14-27-15-11-25/h6-7,16-17H,1-5,8-15H2,(H2,22,23,28).
What are the key properties of 1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea?
1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea has a molecular weight of 404.58 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea is sourced from PubChem (CID 8654290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).