1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea

C14H17N3OS — CID 123398069

IUPAC1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea
SMILESC=CC(=NC(=S)Nc1ccccc1OC)/C(C)=N/C
InChIInChI=1S/C14H17N3OS/c1-5-11(10(2)15-3)16-14(19)17-12-8-6-7-9-13(12)18-4/h5-9H,1H2,2-4H3,(H,17,19)/b15-10+,16-11?
InChIKeyARWLMTXKPBGWGM-FEWYVSLTSA-N
MW275.38 g/mol
LogP3.11
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea

1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea (PubChem CID 123398069) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea
PubChem CID123398069
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea
SMILESC=CC(=NC(=S)Nc1ccccc1OC)/C(C)=N/C
InChIInChI=1S/C14H17N3OS/c1-5-11(10(2)15-3)16-14(19)17-12-8-6-7-9-13(12)18-4/h5-9H,1H2,2-4H3,(H,17,19)/b15-10+,16-11?
InChIKeyARWLMTXKPBGWGM-FEWYVSLTSA-N
XLogP3.11
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)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

(1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea
CID 24884682
2-(2-methoxyanilino)-2-sulfanylideneacetamide
CID 15526121
1-amino-3-(2-methoxyphenyl)-2-methylguanidine
CID 116510612
2-methoxy-N-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]aniline
CID 142147298
N-[2,2,2-trichloro-1-[(2-methoxyphenyl)carbamothioylamino]ethyl]prop-2-enamide
CID 5063371
N'-(2-methoxyphenyl)propanedithioamide
CID 86107307
1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 2404947
(Z)-4-(2-methoxyanilino)pent-3-en-2-one
CID 102222000
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
N-(2-methoxyphenyl)-3-methylbut-2-enamide
CID 19177446
(E)-2-(ethanethioyliminomethyl)-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide
CID 137265814
1-[2,5-dichloro-4-[(2-methoxyphenyl)carbamothioylamino]phenyl]-3-(2-methoxyphenyl)thiourea
CID 1252379

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea (CID 123398069) is 1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea is C=CC(=NC(=S)Nc1ccccc1OC)/C(C)=N/C.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea?
The InChIKey is ARWLMTXKPBGWGM-FEWYVSLTSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-5-11(10(2)15-3)16-14(19)17-12-8-6-7-9-13(12)18-4/h5-9H,1H2,2-4H3,(H,17,19)/b15-10+,16-11?.
What are the key properties of 1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea?
1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea has a molecular weight of 275.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea is sourced from PubChem (CID 123398069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).