5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide

C10H12N4O4S3 — CID 106049683

IUPAC5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)cs1
InChIInChI=1S/C10H12N4O4S3/c1-6-13-7(5-19-6)2-3-12-21(17,18)9-4-8(14(15)16)10(11)20-9/h4-5,12H,2-3,11H2,1H3
InChIKeyFWLYFTHCYWUKKD-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.52
Rot. Bonds6

About 5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide

5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide (PubChem CID 106049683) has the molecular formula C10H12N4O4S3 and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide
PubChem CID106049683
Molecular FormulaC10H12N4O4S3
Molecular Weight348.43 g/mol
Exact Mass348.00
IUPAC Name5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)cs1
InChIInChI=1S/C10H12N4O4S3/c1-6-13-7(5-19-6)2-3-12-21(17,18)9-4-8(14(15)16)10(11)20-9/h4-5,12H,2-3,11H2,1H3
InChIKeyFWLYFTHCYWUKKD-UHFFFAOYSA-N
XLogP1.52
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 80730553
5-amino-N-ethyl-4-nitrothiophene-2-sulfonamide
CID 80747001
4-methyl-5-(methylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106095002
5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746787
5-amino-4-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 80746615
5-amino-N-[2-(diethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746263
2-[(5-amino-4-nitrothiophen-2-yl)sulfonylamino]ethylurea
CID 83114819
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80730863
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80747419
5-amino-N-[(3-methylthiophen-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80747034
5-amino-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183
5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-nitrothiophene-2-sulfonamide
CID 114389272

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide (CID 106049683) is 5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide is Cc1nc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)cs1.
What is the InChIKey of 5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide?
The InChIKey is FWLYFTHCYWUKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S3/c1-6-13-7(5-19-6)2-3-12-21(17,18)9-4-8(14(15)16)10(11)20-9/h4-5,12H,2-3,11H2,1H3.
What are the key properties of 5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide?
5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 106049683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).