1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea

C17H25N3OS — CID 112538714

IUPAC1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea
SMILESCCCOc1ccccc1/C=N\NC(=S)NC1CCCCC1
InChIInChI=1S/C17H25N3OS/c1-2-12-21-16-11-7-6-8-14(16)13-18-20-17(22)19-15-9-4-3-5-10-15/h6-8,11,13,15H,2-5,9-10,12H2,1H3,(H2,19,20,22)/b18-13-
InChIKeyOQGOMUGMWLAYIF-AQTBWJFISA-N
MW319.47 g/mol
LogP3.61
Rot. Bonds6

About 1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea

1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea (PubChem CID 112538714) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea
PubChem CID112538714
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea
SMILESCCCOc1ccccc1/C=N\NC(=S)NC1CCCCC1
InChIInChI=1S/C17H25N3OS/c1-2-12-21-16-11-7-6-8-14(16)13-18-20-17(22)19-15-9-4-3-5-10-15/h6-8,11,13,15H,2-5,9-10,12H2,1H3,(H2,19,20,22)/b18-13-
InChIKeyOQGOMUGMWLAYIF-AQTBWJFISA-N
XLogP3.61
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.61
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'}

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Related Compounds

1-cyclohexyl-3-[(Z)-(2-heptoxyphenyl)methylideneamino]thiourea
CID 110534061
1-cyclohexyl-3-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]thiourea
CID 110536885
1-cyclohexyl-3-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 7933914
1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 112538633
1-cyclohexyl-3-[(Z)-(3-propoxyphenyl)methylideneamino]thiourea
CID 112538710
1-tert-butyl-3-[(2-propoxyphenyl)methylideneamino]thiourea
CID 2725353
2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-6-methoxybenzoic acid
CID 16748721
N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 24819076
1-cyclohexyl-3-[(Z)-(3-nitro-4-propoxyphenyl)methylideneamino]thiourea
CID 110534785
N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide
CID 94846855
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
1-methyl-3-[(E)-(2-pentoxyphenyl)methylideneamino]thiourea
CID 110338496

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea (CID 112538714) is 1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea is CCCOc1ccccc1/C=N\NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea?
The InChIKey is OQGOMUGMWLAYIF-AQTBWJFISA-N. The full InChI is InChI=1S/C17H25N3OS/c1-2-12-21-16-11-7-6-8-14(16)13-18-20-17(22)19-15-9-4-3-5-10-15/h6-8,11,13,15H,2-5,9-10,12H2,1H3,(H2,19,20,22)/b18-13-.
What are the key properties of 1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea?
1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea has a molecular weight of 319.47 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 112538714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).