Thia-Net
Basic information
- CAS
127942-31-8- Standard SMILES
NCCCNC(=O)c1csc(NC(=O)c2csc(NC(=O)CCCN)n2)n1- InChIKey
NOPYGMHKXXIDPJ-UHFFFAOYSA-N- Molecular formula
- C15H21N7O3S2
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.1147299
Overview
related to netropsin; recognizes DNA-sequence specificity; structure given in first source
Names & identifiers
- Preferred name
- Thia-Net
- IUPAC
- 2-(4-aminobutanoylamino)-N-[4-(3-aminopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
- English name
- 4-Thiazolecarboxamide, 2-((4-amino-1-oxobutyl)amino)-N-(4-(((3-aminopr opyl)amino)carbonyl)-2-thiazolyl)-
- Molecular weight
- 0
Names & synonyms
Thia-net127942-31-8DTXSID701557334-Thiazolecarboxamide, 2-((4-amino-1-oxobutyl)amino)-N-(4-(((3-aminopropyl)amino)carbonyl)-2-thiazolyl)-RefChem:189233DTXCID7078224Netropsin (Thia-Nt)NSC640231CHEMBL2008724NCI60_0134072-(4-aminobutanoylamino)-N-[4-(3-aminopropylcarbamoyl)thiazol-2-yl]thiazole-4-carboxamide2-(((2-((4-Aminobutanoyl)amino)-1,3-thiazol-4-yl)carbonyl)amino)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide hydrobromide
Show more names
2-[[2-(4-Aminobutyrylamino)thiazol-4-yl]carbonylamino]-N-(3-aminopropyl)thiazole-4-carboxamide4-Thiazolecarboxamide, 2-((4-amino-1-oxobutyl)amino)-N-(4-(((3-aminopr opyl)amino)carbonyl)-2-thiazolyl)-
2-(4-Aminobutanamido)-N-{4-[(3-aminopropyl)carbamoyl]-1,3-thiazol-2-yl}-1,3-thiazole-4-carboxamide
Database identifiers
- CAS
127942-31-8- PubChem CID
- 148100
- DTXSID
DTXSID70155733- ChEMBL
CHEMBL2008724- Nikkaji
- J277.249C
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 222 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
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Related reactions
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Compound notes
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