N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide

C17H12N4O3S2 — CID 9085814

IUPACN'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
SMILESN#Cc1ccc(OCC(=O)NNC(=O)c2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C17H12N4O3S2/c18-7-11-1-3-13(4-2-11)24-8-15(22)20-21-16(23)14-10-26-17(19-14)12-5-6-25-9-12/h1-6,9-10H,8H2,(H,20,22)(H,21,23)
InChIKeyAXWNSLJPVGQZDR-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.58
Rot. Bonds5

About N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide

N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 9085814) has the molecular formula C17H12N4O3S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
PubChem CID9085814
Molecular FormulaC17H12N4O3S2
Molecular Weight384.44 g/mol
Exact Mass384.04
IUPAC NameN'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
SMILESN#Cc1ccc(OCC(=O)NNC(=O)c2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C17H12N4O3S2/c18-7-11-1-3-13(4-2-11)24-8-15(22)20-21-16(23)14-10-26-17(19-14)12-5-6-25-9-12/h1-6,9-10H,8H2,(H,20,22)(H,21,23)
InChIKeyAXWNSLJPVGQZDR-UHFFFAOYSA-N
XLogP2.58
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 9085819
N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 9083645
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 36843860
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 60537505
N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 46450564
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N'-[2-(2-cyanophenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
CID 24514672
2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
CID 46422350
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate
CID 8748240
2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55426094
N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide (CID 9085814) is N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide is N#Cc1ccc(OCC(=O)NNC(=O)c2csc(-c3ccsc3)n2)cc1.
What is the InChIKey of N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is AXWNSLJPVGQZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S2/c18-7-11-1-3-13(4-2-11)24-8-15(22)20-21-16(23)14-10-26-17(19-14)12-5-6-25-9-12/h1-6,9-10H,8H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 384.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 9085814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).