1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea

C15H21N3O2S — CID 674392

IUPAC1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea
SMILESCOc1cccc(C(=O)NNC(=S)NC2CCCCC2)c1
InChIInChI=1S/C15H21N3O2S/c1-20-13-9-5-6-11(10-13)14(19)17-18-15(21)16-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,17,19)(H2,16,18,21)
InChIKeyJUQMUSXYQBAIAP-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.14
Rot. Bonds3

About 1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea

1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea (PubChem CID 674392) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea
PubChem CID674392
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea
SMILESCOc1cccc(C(=O)NNC(=S)NC2CCCCC2)c1
InChIInChI=1S/C15H21N3O2S/c1-20-13-9-5-6-11(10-13)14(19)17-18-15(21)16-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,17,19)(H2,16,18,21)
InChIKeyJUQMUSXYQBAIAP-UHFFFAOYSA-N
XLogP2.14
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butoxybenzoyl)-N-cyclohexylhydrazinecarbothioamide
CID 2205108
3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 795407
N-cyclopropyl-2-(3,5-dimethoxybenzoyl)hydrazinecarbothioamide
CID 972296
N-(4-fluorobenzyl)-2-[3-(4-methoxyphenyl)propanoyl]hydrazinecarbothioamide
CID 2210446
N-allyl-2-(2-ethoxybenzoyl)hydrazinecarbothioamide
CID 2219908
N-[N'-(4-Methoxy-benzoyl)-hydrazinocarbothioyl]-benzamide
CID 3132650
2-[2-(difluoromethoxy)benzoyl]-N-ethylhydrazinecarbothioamide
CID 1767291
N-[N'-(4-Propoxy-benzoyl)-hydrazinocarbothioyl]-propionamide
CID 1728272
N-[N'-(4-Butoxy-benzoyl)-hydrazinocarbothioyl]-propionamide
CID 1728273
1-(1,3-Benzodioxole-5-carbonylamino)-3-cyclohexylthiourea
CID 2373095
N-(cyclohexylcarbamothioyl)-4-methoxybenzamide
CID 969172
1-Cyclohexyl-3-[(3,4-dimethoxybenzoyl)amino]thiourea
CID 871600

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea (CID 674392) is 1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea is COc1cccc(C(=O)NNC(=S)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea?
The InChIKey is JUQMUSXYQBAIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-20-13-9-5-6-11(10-13)14(19)17-18-15(21)16-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,17,19)(H2,16,18,21).
What are the key properties of 1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea?
1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea has a molecular weight of 307.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3-methoxybenzoyl)amino]thiourea is sourced from PubChem (CID 674392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).