2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole

C10H8N2O4S2 — CID 20795960

IUPAC2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole
SMILESCc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C10H8N2O4S2/c1-7-11-6-10(17-7)18(15,16)9-4-2-8(3-5-9)12(13)14/h2-6H,1H3
InChIKeyLBUZJFLFQOBGMT-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.19
Rot. Bonds3

About 2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole

2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole (PubChem CID 20795960) has the molecular formula C10H8N2O4S2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole
PubChem CID20795960
Molecular FormulaC10H8N2O4S2
Molecular Weight284.32 g/mol
Exact Mass283.99
IUPAC Name2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole
SMILESCc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C10H8N2O4S2/c1-7-11-6-10(17-7)18(15,16)9-4-2-8(3-5-9)12(13)14/h2-6H,1H3
InChIKeyLBUZJFLFQOBGMT-UHFFFAOYSA-N
XLogP2.19
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole 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-(dimethylsulfamoylamino)-5-(4-nitrophenyl)sulfonyl-1,3-thiazole
CID 3288705
2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide
CID 3542122
2,5-dimethyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 25331203
2,5-dimethyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzamide
CID 2486533
1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 2463388
2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-oxazole
CID 67718718
4-methyl-3-nitro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzamide
CID 4266269
3-(4-methylphenyl)sulfonyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide
CID 18573135
2-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazole
CID 59106721
N-[1,1,1,3,3,3-hexafluoro-2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]propan-2-yl]acetamide
CID 5070068
2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 2269968
2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 5157232

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole (CID 20795960) is 2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole is Cc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole?
The InChIKey is LBUZJFLFQOBGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S2/c1-7-11-6-10(17-7)18(15,16)9-4-2-8(3-5-9)12(13)14/h2-6H,1H3.
What are the key properties of 2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole?
2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole has a molecular weight of 284.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-nitrophenyl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 20795960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).