1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea

C15H22N2OS — CID 19649515

IUPAC1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea
SMILESCOc1ccc(CNC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-18-14-9-7-12(8-10-14)11-16-15(19)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H2,16,17,19)
InChIKeyOUJBACMWBNSDDE-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.99
Rot. Bonds4

About 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea

1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea (PubChem CID 19649515) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea
PubChem CID19649515
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea
SMILESCOc1ccc(CNC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-18-14-9-7-12(8-10-14)11-16-15(19)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H2,16,17,19)
InChIKeyOUJBACMWBNSDDE-UHFFFAOYSA-N
XLogP2.99
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea (CID 19649515) is 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea is COc1ccc(CNC(=S)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea?
The InChIKey is OUJBACMWBNSDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-18-14-9-7-12(8-10-14)11-16-15(19)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H2,16,17,19).
What are the key properties of 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea?
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea has a molecular weight of 278.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4-methoxyphenyl)methyl]thiourea is sourced from PubChem (CID 19649515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).