N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C14H15N3O3S — CID 135811310

IUPACN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESC/C(=N\NC(=O)Cc1csc(C)n1)c1ccc(O)cc1O
InChIInChI=1S/C14H15N3O3S/c1-8(12-4-3-11(18)6-13(12)19)16-17-14(20)5-10-7-21-9(2)15-10/h3-4,6-7,18-19H,5H2,1-2H3,(H,17,20)/b16-8+
InChIKeyVKSFTVSQBKEXMQ-LZYBPNLTSA-N
MW305.36 g/mol
LogP1.95
Rot. Bonds4

About N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 135811310) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID135811310
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESC/C(=N\NC(=O)Cc1csc(C)n1)c1ccc(O)cc1O
InChIInChI=1S/C14H15N3O3S/c1-8(12-4-3-11(18)6-13(12)19)16-17-14(20)5-10-7-21-9(2)15-10/h3-4,6-7,18-19H,5H2,1-2H3,(H,17,20)/b16-8+
InChIKeyVKSFTVSQBKEXMQ-LZYBPNLTSA-N
XLogP1.95
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135716717
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135582457
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135821378
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033643
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 137166775
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 4018140
N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4007901
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 78583999
N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3677655
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]decanamide
CID 4124156
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide
CID 136717836

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 135811310) is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is C/C(=N\NC(=O)Cc1csc(C)n1)c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is VKSFTVSQBKEXMQ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8(12-4-3-11(18)6-13(12)19)16-17-14(20)5-10-7-21-9(2)15-10/h3-4,6-7,18-19H,5H2,1-2H3,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 305.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 135811310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).