2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide

C11H12N4O4S2 — CID 63945983

IUPAC2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)N(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H12N4O4S2/c1-7-10(20-11(12)13-7)21(18,19)14(2)8-3-5-9(6-4-8)15(16)17/h3-6H,1-2H3,(H2,12,13)
InChIKeyOXYHOFSIKMVNBF-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide

2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63945983) has the molecular formula C11H12N4O4S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide
PubChem CID63945983
Molecular FormulaC11H12N4O4S2
Molecular Weight328.38 g/mol
Exact Mass328.03
IUPAC Name2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)N(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H12N4O4S2/c1-7-10(20-11(12)13-7)21(18,19)14(2)8-3-5-9(6-4-8)15(16)17/h3-6H,1-2H3,(H2,12,13)
InChIKeyOXYHOFSIKMVNBF-UHFFFAOYSA-N
XLogP1.77
TPSA119.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide
CID 62142843
N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 43348964
2-amino-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-4-ol;N,N-dimethylformamide
CID 146048896
N-(4-acetylphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 11537316
N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99705183
N,N-dimethyl-4-[4-methyl-5-(4-nitrophenyl)-1,3-thiazol-2-yl]aniline
CID 13443930
2-amino-N,4-dimethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide
CID 63945596
N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide
CID 2920408
2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide
CID 3652591
2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 81057986
N-bromo-N-methyl-4-nitrobenzenesulfonamide
CID 134996291
2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63944818

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide (CID 63945983) is 2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)N(C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is OXYHOFSIKMVNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S2/c1-7-10(20-11(12)13-7)21(18,19)14(2)8-3-5-9(6-4-8)15(16)17/h3-6H,1-2H3,(H2,12,13).
What are the key properties of 2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide?
2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 328.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63945983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).