1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea

C15H21N3S2 — CID 5149342

IUPAC1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea
SMILESCSc1ccc(C=NNC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C15H21N3S2/c1-20-14-9-7-12(8-10-14)11-16-18-15(19)17-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,17,18,19)
InChIKeyMVUYRKKQTZDUAL-UHFFFAOYSA-N
MW307.49 g/mol
LogP3.54
Rot. Bonds4

About 1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea

1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea (PubChem CID 5149342) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea
PubChem CID5149342
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC Name1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea
SMILESCSc1ccc(C=NNC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C15H21N3S2/c1-20-14-9-7-12(8-10-14)11-16-18-15(19)17-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,17,18,19)
InChIKeyMVUYRKKQTZDUAL-UHFFFAOYSA-N
XLogP3.54
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea 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-[(E)-(4-ethylphenyl)methylideneamino]thiourea
CID 42991509
N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 5171062
1-cyclohexyl-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 717820
1-cyclohexyl-3-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 5397037
1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]thiourea
CID 135731239
1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-cyclohexylthiourea
CID 6861405
1-[(4-methylsulfanylphenyl)methylideneamino]-3-(oxolan-2-ylmethyl)thiourea
CID 3956090
1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea
CID 4216944
1-cyclohexyl-3-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 7933914
1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 112538633
4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 4509992
1-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-3-cyclohexylthiourea
CID 110338767

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea (CID 5149342) is 1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea is CSc1ccc(C=NNC(=S)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea?
The InChIKey is MVUYRKKQTZDUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-20-14-9-7-12(8-10-14)11-16-18-15(19)17-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea?
1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea has a molecular weight of 307.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 5149342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).