1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide

C11H13N3O2S2 — CID 29050516

IUPAC1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
SMILESCc1csc(NS(=O)(=O)Cc2ccc(N)cc2)n1
InChIInChI=1S/C11H13N3O2S2/c1-8-6-17-11(13-8)14-18(15,16)7-9-2-4-10(12)5-3-9/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyABCHMBGFHPBCET-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.98
Rot. Bonds4

About 1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide

1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide (PubChem CID 29050516) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
PubChem CID29050516
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
SMILESCc1csc(NS(=O)(=O)Cc2ccc(N)cc2)n1
InChIInChI=1S/C11H13N3O2S2/c1-8-6-17-11(13-8)14-18(15,16)7-9-2-4-10(12)5-3-9/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyABCHMBGFHPBCET-UHFFFAOYSA-N
XLogP1.98
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 110756940
1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 62019955
N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 60650358
2-(4-ethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 90518762
N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 61221194
4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28715935
2-amino-4,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29041434
2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62149608
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540
3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 115328636
1-(4-aminophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]methanesulfonamide
CID 106413641

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide (CID 29050516) is 1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide is Cc1csc(NS(=O)(=O)Cc2ccc(N)cc2)n1.
What is the InChIKey of 1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
The InChIKey is ABCHMBGFHPBCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-8-6-17-11(13-8)14-18(15,16)7-9-2-4-10(12)5-3-9/h2-6H,7,12H2,1H3,(H,13,14).
What are the key properties of 1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 29050516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).