N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C13H13N3O2S — CID 4007901

IUPACN-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NN=Cc2ccc(O)cc2)cs1
InChIInChI=1S/C13H13N3O2S/c1-9-15-11(8-19-9)6-13(18)16-14-7-10-2-4-12(17)5-3-10/h2-5,7-8,17H,6H2,1H3,(H,16,18)
InChIKeyFVGIEUCJNXYFQS-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.85
Rot. Bonds4

About N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 4007901) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID4007901
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NN=Cc2ccc(O)cc2)cs1
InChIInChI=1S/C13H13N3O2S/c1-9-15-11(8-19-9)6-13(18)16-14-7-10-2-4-12(17)5-3-10/h2-5,7-8,17H,6H2,1H3,(H,16,18)
InChIKeyFVGIEUCJNXYFQS-UHFFFAOYSA-N
XLogP1.85
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 5000162
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4843582
4-[(Z)-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
CID 9463629
N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463624
N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 5106080
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4531211
N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135842205
2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6069223
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463662
N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463667
2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 9463968
methyl 4-[(E)-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 110337942

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 4007901) is N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NN=Cc2ccc(O)cc2)cs1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is FVGIEUCJNXYFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9-15-11(8-19-9)6-13(18)16-14-7-10-2-4-12(17)5-3-10/h2-5,7-8,17H,6H2,1H3,(H,16,18).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 275.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 4007901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).