1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea

C18H25N3OS — CID 7933970

IUPAC1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea
SMILESCCCCCC1=CCC/C1=N/NC(=S)Nc1ccccc1OC
InChIInChI=1S/C18H25N3OS/c1-3-4-5-9-14-10-8-12-15(14)20-21-18(23)19-16-11-6-7-13-17(16)22-2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H2,19,21,23)/b20-15-
InChIKeyQWIYJZRRQDTZAS-HKWRFOASSA-N
MW331.48 g/mol
LogP4.64
Rot. Bonds7

About 1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea

1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea (PubChem CID 7933970) has the molecular formula C18H25N3OS and a molecular weight of 331.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea
PubChem CID7933970
Molecular FormulaC18H25N3OS
Molecular Weight331.48 g/mol
Exact Mass331.17
IUPAC Name1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea
SMILESCCCCCC1=CCC/C1=N/NC(=S)Nc1ccccc1OC
InChIInChI=1S/C18H25N3OS/c1-3-4-5-9-14-10-8-12-15(14)20-21-18(23)19-16-11-6-7-13-17(16)22-2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H2,19,21,23)/b20-15-
InChIKeyQWIYJZRRQDTZAS-HKWRFOASSA-N
XLogP4.64
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(cyclododecylideneamino)-3-(2-methoxyphenyl)thiourea
CID 4134522
1-(fluoren-9-ylideneamino)-3-(2-methoxyphenyl)thiourea
CID 3503916
N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide
CID 6393799
N-[(2-methoxyphenyl)carbamothioyl]pentanamide
CID 19187716
2-(2-oxo-1-pyridinyl)-N-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]acetamide
CID 8883649
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
1-dodecyl-3-(2-ethoxyphenyl)thiourea
CID 19651397
1-decyl-3-(2-ethoxyphenyl)thiourea
CID 19651220
1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 2404947
1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3927035
5-bromo-2-hexoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 17343695
1-(2-methoxyphenyl)-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 6906457

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea (CID 7933970) is 1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea is CCCCCC1=CCC/C1=N/NC(=S)Nc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea?
The InChIKey is QWIYJZRRQDTZAS-HKWRFOASSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-3-4-5-9-14-10-8-12-15(14)20-21-18(23)19-16-11-6-7-13-17(16)22-2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H2,19,21,23)/b20-15-.
What are the key properties of 1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea?
1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea has a molecular weight of 331.48 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(Z)-(2-pentylcyclopent-2-en-1-ylidene)amino]thiourea is sourced from PubChem (CID 7933970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).