3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide

C16H21N3O2S — CID 156613223

IUPAC3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N/C2C=CSC2C(N)=O)c(O)c1
InChIInChI=1S/C16H21N3O2S/c1-3-19(4-2)12-6-5-11(14(20)9-12)10-18-13-7-8-22-15(13)16(17)21/h5-10,13,15,20H,3-4H2,1-2H3,(H2,17,21)/b18-10+
InChIKeySQXIOCNQJUKUMF-VCHYOVAHSA-N
MW319.43 g/mol
LogP2.14
Rot. Bonds6

About 3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide

3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide (PubChem CID 156613223) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide
PubChem CID156613223
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N/C2C=CSC2C(N)=O)c(O)c1
InChIInChI=1S/C16H21N3O2S/c1-3-19(4-2)12-6-5-11(14(20)9-12)10-18-13-7-8-22-15(13)16(17)21/h5-10,13,15,20H,3-4H2,1-2H3,(H2,17,21)/b18-10+
InChIKeySQXIOCNQJUKUMF-VCHYOVAHSA-N
XLogP2.14
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N'-(4-(diethylamino)-2-hydroxybenzylidene)-2-(thiophen-2-yl)acetohydrazide
CID 135497920
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135615683
N-[4-({(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene}amino)phenyl]acetamide
CID 738975
N-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)-7-oxo-6,7a-dihydro-3aH-thieno[3,2-b]pyridine-6-carboxamide
CID 91514693
N-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)-7-hydroxy-3a,7a-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 135938299
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 947684
acetonitrile;N-[(Z)-1,2-dicyano-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]ethenyl]acetamide
CID 139205666
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 697110
N'-[(Z)-[4-(Diethylamino)-2-hydroxyphenyl]methylidene]-2-(thiophen-2-YL)acetohydrazide
CID 135628186
N'-{(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene}-2-(5-hydroxy-1H-pyrazol-3-yl)acetohydrazide
CID 135656493
2-[(2E)-2-[(2E)-2-{[4-(Diethylamino)-2-hydroxyphenyl]methylidene}hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-YL]acetic acid
CID 135800059
(2E)-2-{(2E)-[4-(diethylamino)-2-hydroxybenzylidene]hydrazinylidene}-1,3-thiazolidin-4-one
CID 135628903

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide?
The IUPAC name of 3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide (CID 156613223) is 3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide.
What is the SMILES notation for 3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide?
The canonical SMILES for 3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide is CCN(CC)c1ccc(/C=N/C2C=CSC2C(N)=O)c(O)c1.
What is the InChIKey of 3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide?
The InChIKey is SQXIOCNQJUKUMF-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-19(4-2)12-6-5-11(14(20)9-12)10-18-13-7-8-22-15(13)16(17)21/h5-10,13,15,20H,3-4H2,1-2H3,(H2,17,21)/b18-10+.
What are the key properties of 3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide?
3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,3-dihydrothiophene-2-carboxamide is sourced from PubChem (CID 156613223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).