hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid

C18H20N4O5S3 — CID 172709215

IUPAChydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESNO.O=C(O)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4cccs4)cc3)CC2)s1
InChIInChI=1S/C18H17N3O4S3.H3NO/c22-17(23)16-12-19-18(27-16)20-7-9-21(10-8-20)28(24,25)14-5-3-13(4-6-14)15-2-1-11-26-15;1-2/h1-6,11-12H,7-10H2,(H,22,23);2H,1H2
InChIKeyFACKETVLCQCIJR-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.41
Rot. Bonds5

About hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid

hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 172709215) has the molecular formula C18H20N4O5S3 and a molecular weight of 468.58 g/mol. Its IUPAC name is hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Namehydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID172709215
Molecular FormulaC18H20N4O5S3
Molecular Weight468.58 g/mol
Exact Mass468.06
IUPAC Namehydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESNO.O=C(O)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4cccs4)cc3)CC2)s1
InChIInChI=1S/C18H17N3O4S3.H3NO/c22-17(23)16-12-19-18(27-16)20-7-9-21(10-8-20)28(24,25)14-5-3-13(4-6-14)15-2-1-11-26-15;1-2/h1-6,11-12H,7-10H2,(H,22,23);2H,1H2
InChIKeyFACKETVLCQCIJR-UHFFFAOYSA-N
XLogP2.41
TPSA137.06 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid 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

2-[4-[3-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 68946323
N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 11178108
2-(4-benzylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 90969521
2-[4-[2-[2-(pyrrolidin-1-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 69089474
N-hydroxy-2-[4-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide;hydrochloride
CID 157389142
N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 134535394
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole
CID 133351883
2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole
CID 108780934
2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62775464
amino 2-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 69042797
2-[4-[2-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;hydroxylamine
CID 172831440
3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53075191

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 172709215) is hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid is NO.O=C(O)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4cccs4)cc3)CC2)s1.
What is the InChIKey of hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is FACKETVLCQCIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S3.H3NO/c22-17(23)16-12-19-18(27-16)20-7-9-21(10-8-20)28(24,25)14-5-3-13(4-6-14)15-2-1-11-26-15;1-2/h1-6,11-12H,7-10H2,(H,22,23);2H,1H2.
What are the key properties of hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 468.58 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 172709215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).