1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea

C16H24N2S — CID 23931956

IUPAC1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea
SMILESCCN(C(=S)Nc1ccccc1C)C1CCCCC1
InChIInChI=1S/C16H24N2S/c1-3-18(14-10-5-4-6-11-14)16(19)17-15-12-8-7-9-13(15)2/h7-9,12,14H,3-6,10-11H2,1-2H3,(H,17,19)
InChIKeySPWRUQFBACDIAL-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.35
Rot. Bonds3

About 1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea

1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea (PubChem CID 23931956) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea
PubChem CID23931956
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea
SMILESCCN(C(=S)Nc1ccccc1C)C1CCCCC1
InChIInChI=1S/C16H24N2S/c1-3-18(14-10-5-4-6-11-14)16(19)17-15-12-8-7-9-13(15)2/h7-9,12,14H,3-6,10-11H2,1-2H3,(H,17,19)
InChIKeySPWRUQFBACDIAL-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(2-methylphenyl)thiourea
CID 8681117
1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea
CID 8017324
3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea
CID 7972663
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
ethyl 4-[2-(dimethylamino)ethyl-[(2-methylphenyl)carbamothioyl]amino]piperidine-1-carboxylate
CID 12005256
3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
CID 5102192
1,1-dibutyl-3-(2-methylphenyl)thiourea
CID 19653127
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 113153099
N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 797213
3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
CID 3511745

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea (CID 23931956) is 1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea is CCN(C(=S)Nc1ccccc1C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea?
The InChIKey is SPWRUQFBACDIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-3-18(14-10-5-4-6-11-14)16(19)17-15-12-8-7-9-13(15)2/h7-9,12,14H,3-6,10-11H2,1-2H3,(H,17,19).
What are the key properties of 1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea?
1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea has a molecular weight of 276.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 23931956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).