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

C17H20N4O3S2 — CID 9093097

IUPAC4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C17H20N4O3S2/c1-11-15(26-17(18-11)12-6-8-25-10-12)16(24)20-19-13(22)9-21-7-4-2-3-5-14(21)23/h6,8,10H,2-5,7,9H2,1H3,(H,19,22)(H,20,24)
InChIKeyOYFJDNYGFRWRCN-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.34
Rot. Bonds4

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

4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 9093097) has the molecular formula C17H20N4O3S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
PubChem CID9093097
Molecular FormulaC17H20N4O3S2
Molecular Weight392.51 g/mol
Exact Mass392.10
IUPAC Name4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C17H20N4O3S2/c1-11-15(26-17(18-11)12-6-8-25-10-12)16(24)20-19-13(22)9-21-7-4-2-3-5-14(21)23/h6,8,10H,2-5,7,9H2,1H3,(H,19,22)(H,20,24)
InChIKeyOYFJDNYGFRWRCN-UHFFFAOYSA-N
XLogP2.34
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-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

4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 9085819
N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17497475
N-ethyl-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 55912564
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 9086489
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 41291742
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 55427711
4-methyl-N-(2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 47119834
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 24533036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide (CID 9093097) is 4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccsc2)sc1C(=O)NNC(=O)CN1CCCCCC1=O.
What is the InChIKey of 4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is OYFJDNYGFRWRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S2/c1-11-15(26-17(18-11)12-6-8-25-10-12)16(24)20-19-13(22)9-21-7-4-2-3-5-14(21)23/h6,8,10H,2-5,7,9H2,1H3,(H,19,22)(H,20,24).
What are the key properties of 4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 392.51 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-(2-oxoazepan-1-yl)acetyl]-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 9093097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).