N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide

C18H18N4O3S2 — CID 135650119

IUPACN-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
SMILESCCOc1cc(/C=N/Nc2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O
InChIInChI=1S/C18H18N4O3S2/c1-3-25-14-9-12(6-7-13(14)24)10-19-22-18-21-16(15-5-4-8-26-15)17(27-18)20-11(2)23/h4-10,24H,3H2,1-2H3,(H,20,23)(H,21,22)/b19-10+
InChIKeyUKOGLHPDNKCNNA-VXLYETTFSA-N
MW402.50 g/mol
LogP4.38
Rot. Bonds7

About N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide

N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide (PubChem CID 135650119) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
PubChem CID135650119
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
SMILESCCOc1cc(/C=N/Nc2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O
InChIInChI=1S/C18H18N4O3S2/c1-3-25-14-9-12(6-7-13(14)24)10-19-22-18-21-16(15-5-4-8-26-15)17(27-18)20-11(2)23/h4-10,24H,3H2,1-2H3,(H,20,23)(H,21,22)/b19-10+
InChIKeyUKOGLHPDNKCNNA-VXLYETTFSA-N
XLogP4.38
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.38
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide (CID 135650119) is N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide is CCOc1cc(/C=N/Nc2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O.
What is the InChIKey of N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The InChIKey is UKOGLHPDNKCNNA-VXLYETTFSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-3-25-14-9-12(6-7-13(14)24)10-19-22-18-21-16(15-5-4-8-26-15)17(27-18)20-11(2)23/h4-10,24H,3H2,1-2H3,(H,20,23)(H,21,22)/b19-10+.
What are the key properties of N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 135650119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).