1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea

C15H22N2OS — CID 7939510

IUPAC1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea
SMILESCOc1ccc(NC(=S)N(C)C2CCCCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-17(13-6-4-3-5-7-13)15(19)16-12-8-10-14(18-2)11-9-12/h8-11,13H,3-7H2,1-2H3,(H,16,19)
InChIKeyGTTPNGCREQMHAF-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.66
Rot. Bonds3

About 1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea

1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea (PubChem CID 7939510) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea
PubChem CID7939510
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea
SMILESCOc1ccc(NC(=S)N(C)C2CCCCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-17(13-6-4-3-5-7-13)15(19)16-12-8-10-14(18-2)11-9-12/h8-11,13H,3-7H2,1-2H3,(H,16,19)
InChIKeyGTTPNGCREQMHAF-UHFFFAOYSA-N
XLogP3.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-[4-(difluoromethoxy)phenyl]-1-methylthiourea
CID 7109259
1-(2-cyanoethyl)-1-cyclohexyl-3-(4-methoxyphenyl)thiourea
CID 2807290
[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8816667
3-(3-methoxyphenyl)-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)thiourea
CID 5184409
N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924408
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
1-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea
CID 1163852
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 110923589
2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
CID 14746266
1-methyl-1-(1-methylpiperidin-1-ium-4-yl)-3-phenylthiourea
CID 7386005
trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
CID 15891180
1-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea
CID 1136730

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea?
The IUPAC name of 1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea (CID 7939510) is 1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea.
What is the SMILES notation for 1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea?
The canonical SMILES for 1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea is COc1ccc(NC(=S)N(C)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea?
The InChIKey is GTTPNGCREQMHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-17(13-6-4-3-5-7-13)15(19)16-12-8-10-14(18-2)11-9-12/h8-11,13H,3-7H2,1-2H3,(H,16,19).
What are the key properties of 1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea?
1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea has a molecular weight of 278.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methoxyphenyl)-1-methylthiourea is sourced from PubChem (CID 7939510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).