1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea

C16H24N2OS — CID 7941815

IUPAC1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
SMILESCCOc1ccc(NC(=S)N[C@@H]2CCCC[C@@H]2C)cc1
InChIInChI=1S/C16H24N2OS/c1-3-19-14-10-8-13(9-11-14)17-16(20)18-15-7-5-4-6-12(15)2/h8-12,15H,3-7H2,1-2H3,(H2,17,18,20)/t12-,15+/m0/s1
InChIKeyYCVPIADMUMASFE-SWLSCSKDSA-N
MW292.45 g/mol
LogP3.95
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea

1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea (PubChem CID 7941815) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
PubChem CID7941815
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
SMILESCCOc1ccc(NC(=S)N[C@@H]2CCCC[C@@H]2C)cc1
InChIInChI=1S/C16H24N2OS/c1-3-19-14-10-8-13(9-11-14)17-16(20)18-15-7-5-4-6-12(15)2/h8-12,15H,3-7H2,1-2H3,(H2,17,18,20)/t12-,15+/m0/s1
InChIKeyYCVPIADMUMASFE-SWLSCSKDSA-N
XLogP3.95
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzamide
CID 8614526
1-(4-methoxyphenyl)-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8616277
1-cycloheptyl-3-(4-ethoxyphenyl)thiourea
CID 8627943
ethyl 4-[(2-methylcyclohexyl)carbamothioylamino]benzoate
CID 17283646
1-[(1S,2R)-2-methylcyclohexyl]-3-(4-methylsulfanylphenyl)thiourea
CID 8564855
1,3-bis(4-ethoxyphenyl)thiourea;dicyclohexylalumane
CID 173293068
2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7411802
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 11930366
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-(4-ethoxyphenyl)thiourea
CID 11888785

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea (CID 7941815) is 1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea is CCOc1ccc(NC(=S)N[C@@H]2CCCC[C@@H]2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea?
The InChIKey is YCVPIADMUMASFE-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-19-14-10-8-13(9-11-14)17-16(20)18-15-7-5-4-6-12(15)2/h8-12,15H,3-7H2,1-2H3,(H2,17,18,20)/t12-,15+/m0/s1.
What are the key properties of 1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea?
1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea has a molecular weight of 292.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea is sourced from PubChem (CID 7941815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).