N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide

C18H14N4O3S2 — CID 9085819

IUPACN'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C18H14N4O3S2/c1-11-16(27-18(20-11)13-6-7-26-10-13)17(24)22-21-15(23)9-25-14-4-2-12(8-19)3-5-14/h2-7,10H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyBDZWVLBDBBRVNN-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.89
Rot. Bonds5

About N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide

N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 9085819) has the molecular formula C18H14N4O3S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
PubChem CID9085819
Molecular FormulaC18H14N4O3S2
Molecular Weight398.47 g/mol
Exact Mass398.05
IUPAC NameN'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C18H14N4O3S2/c1-11-16(27-18(20-11)13-6-7-26-10-13)17(24)22-21-15(23)9-25-14-4-2-12(8-19)3-5-14/h2-7,10H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyBDZWVLBDBBRVNN-UHFFFAOYSA-N
XLogP2.89
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 9085814
N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 9086489
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
4-methyl-N-(3-phenoxypropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55431404
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 33116359
N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46628023
4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 9093097
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
4-methyl-N-(2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 47119834
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide (CID 9085819) is N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccsc2)sc1C(=O)NNC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is BDZWVLBDBBRVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S2/c1-11-16(27-18(20-11)13-6-7-26-10-13)17(24)22-21-15(23)9-25-14-4-2-12(8-19)3-5-14/h2-7,10H,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 398.47 g/mol, XLogP of 2.89, 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]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 9085819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).