N-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide

C11H13N3O2S2 — CID 103413922

IUPACN-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(C)c2ccccc2N)s1
InChIInChI=1S/C11H13N3O2S2/c1-8-13-7-11(17-8)18(15,16)14(2)10-6-4-3-5-9(10)12/h3-7H,12H2,1-2H3
InChIKeyPBGZCYJXUMKTIS-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.86
Rot. Bonds3

About N-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide

N-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 103413922) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID103413922
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(C)c2ccccc2N)s1
InChIInChI=1S/C11H13N3O2S2/c1-8-13-7-11(17-8)18(15,16)14(2)10-6-4-3-5-9(10)12/h3-7H,12H2,1-2H3
InChIKeyPBGZCYJXUMKTIS-UHFFFAOYSA-N
XLogP1.86
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide (CID 103413922) is N-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)N(C)c2ccccc2N)s1.
What is the InChIKey of N-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is PBGZCYJXUMKTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-8-13-7-11(17-8)18(15,16)14(2)10-6-4-3-5-9(10)12/h3-7H,12H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
N-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103413922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).