3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide

C21H20N4O2S4 — CID 112830370

IUPAC3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
SMILESCC(CCC(=O)Nc1nc(-c2cccs2)cs1)CC(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C21H20N4O2S4/c1-13(10-19(27)25-21-23-15(12-31-21)17-5-3-9-29-17)6-7-18(26)24-20-22-14(11-30-20)16-4-2-8-28-16/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,22,24,26)(H,23,25,27)
InChIKeyPHORDHRMCKQNQY-UHFFFAOYSA-N
MW488.69 g/mol
LogP6.44
Rot. Bonds9

About 3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide

3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide (PubChem CID 112830370) has the molecular formula C21H20N4O2S4 and a molecular weight of 488.69 g/mol. Its IUPAC name is 3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide.

Molecular Properties

Compound Name3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
PubChem CID112830370
Molecular FormulaC21H20N4O2S4
Molecular Weight488.69 g/mol
Exact Mass488.05
IUPAC Name3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
SMILESCC(CCC(=O)Nc1nc(-c2cccs2)cs1)CC(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C21H20N4O2S4/c1-13(10-19(27)25-21-23-15(12-31-21)17-5-3-9-29-17)6-7-18(26)24-20-22-14(11-30-20)16-4-2-8-28-16/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,22,24,26)(H,23,25,27)
InChIKeyPHORDHRMCKQNQY-UHFFFAOYSA-N
XLogP6.44
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.69
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide 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-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 111542537
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 108742129
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 36668177
4-(4-methylphenyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 41086076
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 55376540
2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29456306
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 16592789
3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 55381245
2-(2-fluorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2080859

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide?
The IUPAC name of 3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide (CID 112830370) is 3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide.
What is the SMILES notation for 3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide?
The canonical SMILES for 3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide is CC(CCC(=O)Nc1nc(-c2cccs2)cs1)CC(=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide?
The InChIKey is PHORDHRMCKQNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S4/c1-13(10-19(27)25-21-23-15(12-31-21)17-5-3-9-29-17)6-7-18(26)24-20-22-14(11-30-20)16-4-2-8-28-16/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,22,24,26)(H,23,25,27).
What are the key properties of 3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide?
3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide has a molecular weight of 488.69 g/mol, XLogP of 6.44, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide is sourced from PubChem (CID 112830370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).