N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide

C17H16N4O3S2 — CID 3601535

IUPACN-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
SMILESCOc1cc(C=NNc2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O
InChIInChI=1S/C17H16N4O3S2/c1-10(22)19-16-15(14-4-3-7-25-14)20-17(26-16)21-18-9-11-5-6-12(23)13(8-11)24-2/h3-9,23H,1-2H3,(H,19,22)(H,20,21)
InChIKeyBJGFUBDYLKHDIC-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.99
Rot. Bonds6

About N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide

N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide (PubChem CID 3601535) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
PubChem CID3601535
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
SMILESCOc1cc(C=NNc2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O
InChIInChI=1S/C17H16N4O3S2/c1-10(22)19-16-15(14-4-3-7-25-14)20-17(26-16)21-18-9-11-5-6-12(23)13(8-11)24-2/h3-9,23H,1-2H3,(H,19,22)(H,20,21)
InChIKeyBJGFUBDYLKHDIC-UHFFFAOYSA-N
XLogP3.99
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}

Analyze N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide (CID 3601535) is N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide is COc1cc(C=NNc2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O.
What is the InChIKey of N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The InChIKey is BJGFUBDYLKHDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-10(22)19-16-15(14-4-3-7-25-14)20-17(26-16)21-18-9-11-5-6-12(23)13(8-11)24-2/h3-9,23H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 3601535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).