2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide

C11H14N4OS — CID 10514834

IUPAC2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
SMILESCOc1ccc(C(N=[N+]=[N-])C(=S)N(C)C)cc1
InChIInChI=1S/C11H14N4OS/c1-15(2)11(17)10(13-14-12)8-4-6-9(16-3)7-5-8/h4-7,10H,1-3H3
InChIKeyIWLDTILABJSXPZ-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.94
Rot. Bonds4

About 2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide

2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide (PubChem CID 10514834) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide.

Molecular Properties

Compound Name2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
PubChem CID10514834
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
SMILESCOc1ccc(C(N=[N+]=[N-])C(=S)N(C)C)cc1
InChIInChI=1S/C11H14N4OS/c1-15(2)11(17)10(13-14-12)8-4-6-9(16-3)7-5-8/h4-7,10H,1-3H3
InChIKeyIWLDTILABJSXPZ-UHFFFAOYSA-N
XLogP2.94
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-azido-2-(4-methoxyphenyl)acetic acid
CID 122606952
2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
CID 10198432
1-(1-azidoethyl)-4-methoxybenzene
CID 13330258
2-azido-1-(4-methoxyphenyl)propane-1,3-diol
CID 121485278
methyl (2S,3S)-3-azido-2-bromo-3-(4-methoxyphenyl)propanoate
CID 101406820
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192
(2S)-2-azido-2-[4-[(S)-azido(carboxy)methyl]phenyl]acetic acid
CID 54539704
(2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol
CID 11053274
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
(2S,3S)-2-azido-3-hydroxy-1-(4-methoxyphenyl)butan-1-one
CID 101157836
methyl 2-azido-3-(4-methoxyphenyl)propanoate
CID 10444067
(4S)-3-[(2S)-2-azido-2-(4-methoxyphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one
CID 10546847

Frequently Asked Questions

What is the IUPAC name of 2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide?
The IUPAC name of 2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide (CID 10514834) is 2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide.
What is the SMILES notation for 2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide?
The canonical SMILES for 2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide is COc1ccc(C(N=[N+]=[N-])C(=S)N(C)C)cc1.
What is the InChIKey of 2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide?
The InChIKey is IWLDTILABJSXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-15(2)11(17)10(13-14-12)8-4-6-9(16-3)7-5-8/h4-7,10H,1-3H3.
What are the key properties of 2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide?
2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide has a molecular weight of 250.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide is sourced from PubChem (CID 10514834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).