1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea

C15H17N3OS — CID 31332397

IUPAC1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)N/N=C1/C[C@@H]2C=CC[C@H]12
InChIInChI=1S/C15H17N3OS/c1-19-14-8-3-2-7-12(14)16-15(20)18-17-13-9-10-5-4-6-11(10)13/h2-5,7-8,10-11H,6,9H2,1H3,(H2,16,18,20)/b17-13-/t10-,11-/m0/s1
InChIKeyRLYWNVFIGLKBCR-PDFAESPNSA-N
MW287.39 g/mol
LogP2.93
Rot. Bonds3

About 1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea

1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea (PubChem CID 31332397) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea
PubChem CID31332397
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)N/N=C1/C[C@@H]2C=CC[C@H]12
InChIInChI=1S/C15H17N3OS/c1-19-14-8-3-2-7-12(14)16-15(20)18-17-13-9-10-5-4-6-11(10)13/h2-5,7-8,10-11H,6,9H2,1H3,(H2,16,18,20)/b17-13-/t10-,11-/m0/s1
InChIKeyRLYWNVFIGLKBCR-PDFAESPNSA-N
XLogP2.93
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)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-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(3-chloro-2-methylphenyl)thiourea
CID 9316293
1-(cyclododecylideneamino)-3-(2-methoxyphenyl)thiourea
CID 4134522
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3,4-dimethoxybenzamide
CID 9232780
1-(fluoren-9-ylideneamino)-3-(2-methoxyphenyl)thiourea
CID 3503916
1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea
CID 40880217
1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 2404947
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide
CID 9467244
1-(2-methoxyphenyl)-3-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]thiourea
CID 6021261
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-3,4,5-triethoxybenzamide
CID 6168805
1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea
CID 4083793
1-(2-methoxyphenyl)-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 6906457

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea (CID 31332397) is 1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea is COc1ccccc1NC(=S)N/N=C1/C[C@@H]2C=CC[C@H]12.
What is the InChIKey of 1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea?
The InChIKey is RLYWNVFIGLKBCR-PDFAESPNSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-19-14-8-3-2-7-12(14)16-15(20)18-17-13-9-10-5-4-6-11(10)13/h2-5,7-8,10-11H,6,9H2,1H3,(H2,16,18,20)/b17-13-/t10-,11-/m0/s1.
What are the key properties of 1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea?
1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea has a molecular weight of 287.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 31332397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).