2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide

C11H14N4O3S — CID 57363037

IUPAC2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C=NNC(N)=S)ccc1OCC(N)=O
InChIInChI=1S/C11H14N4O3S/c1-17-9-4-7(5-14-15-11(13)19)2-3-8(9)18-6-10(12)16/h2-5H,6H2,1H3,(H2,12,16)(H3,13,15,19)
InChIKeyZDMSFIPVLLGEGH-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.27
Rot. Bonds6

About 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide

2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide (PubChem CID 57363037) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
PubChem CID57363037
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C=NNC(N)=S)ccc1OCC(N)=O
InChIInChI=1S/C11H14N4O3S/c1-17-9-4-7(5-14-15-11(13)19)2-3-8(9)18-6-10(12)16/h2-5H,6H2,1H3,(H2,12,16)(H3,13,15,19)
InChIKeyZDMSFIPVLLGEGH-UHFFFAOYSA-N
XLogP-0.27
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetic acid
CID 803110
ethyl 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate
CID 4279032
[(E)-(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 6474566
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 168534931
2-[2-methoxy-4-[(Z)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenoxy]acetamide
CID 7933988
2-[2-bromo-4-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenoxy]acetamide
CID 57363032
2-[2-methoxy-4-[(Z)-[(3-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenoxy]acetamide
CID 7965917
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide
CID 5431292
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8990276
[(Z)-(3,4-diethoxyphenyl)methylideneamino]thiourea
CID 5354424
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide (CID 57363037) is 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide is COc1cc(C=NNC(N)=S)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is ZDMSFIPVLLGEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-17-9-4-7(5-14-15-11(13)19)2-3-8(9)18-6-10(12)16/h2-5H,6H2,1H3,(H2,12,16)(H3,13,15,19).
What are the key properties of 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide?
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 282.33 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 57363037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).