4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide

C11H13N3O2S2 — CID 4736955

IUPAC4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C11H13N3O2S2/c1-14(2)18(15,16)9-5-3-8(4-6-9)10-7-17-11(12)13-10/h3-7H,1-2H3,(H2,12,13)
InChIKeyRPFPJUZFZBAAPP-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.64
Rot. Bonds3

About 4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide

4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 4736955) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID4736955
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C11H13N3O2S2/c1-14(2)18(15,16)9-5-3-8(4-6-9)10-7-17-11(12)13-10/h3-7H,1-2H3,(H2,12,13)
InChIKeyRPFPJUZFZBAAPP-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide (CID 4736955) is 4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of 4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is RPFPJUZFZBAAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-14(2)18(15,16)9-5-3-8(4-6-9)10-7-17-11(12)13-10/h3-7H,1-2H3,(H2,12,13).
What are the key properties of 4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide?
4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 4736955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).