2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide

C15H20N2O2S — CID 58241283

IUPAC2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
SMILESCOc1ccc(/C=N/CC(N)=S)cc1OC1CCCC1
InChIInChI=1S/C15H20N2O2S/c1-18-13-7-6-11(9-17-10-15(16)20)8-14(13)19-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H2,16,20)/b17-9+
InChIKeyFLKHGNCLFAZPGR-RQZCQDPDSA-N
MW292.40 g/mol
LogP2.72
Rot. Bonds6

About 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide

2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide (PubChem CID 58241283) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide.

Molecular Properties

Compound Name2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
PubChem CID58241283
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
SMILESCOc1ccc(/C=N/CC(N)=S)cc1OC1CCCC1
InChIInChI=1S/C15H20N2O2S/c1-18-13-7-6-11(9-17-10-15(16)20)8-14(13)19-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H2,16,20)/b17-9+
InChIKeyFLKHGNCLFAZPGR-RQZCQDPDSA-N
XLogP2.72
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide 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

2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
CID 44541745
ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
CID 54480255
1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine
CID 54551418
(NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 10106724
N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide
CID 163716487
2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
CID 89146119
1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid
CID 110173499
(3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride
CID 173248162
ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate
CID 11462803
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625792
dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate
CID 85045270

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide?
The IUPAC name of 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide (CID 58241283) is 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide.
What is the SMILES notation for 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide?
The canonical SMILES for 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide is COc1ccc(/C=N/CC(N)=S)cc1OC1CCCC1.
What is the InChIKey of 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide?
The InChIKey is FLKHGNCLFAZPGR-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-18-13-7-6-11(9-17-10-15(16)20)8-14(13)19-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H2,16,20)/b17-9+.
What are the key properties of 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide?
2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide has a molecular weight of 292.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide is sourced from PubChem (CID 58241283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).