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

C13H17N3O2S2 — CID 106034147

IUPAC1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
SMILESCc1nc(CCNS(=O)(=O)Cc2ccccc2N)cs1
InChIInChI=1S/C13H17N3O2S2/c1-10-16-12(8-19-10)6-7-15-20(17,18)9-11-4-2-3-5-13(11)14/h2-5,8,15H,6-7,9,14H2,1H3
InChIKeyOXOWPDVFQNHJAO-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.70
Rot. Bonds6

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

1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide (PubChem CID 106034147) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
PubChem CID106034147
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
SMILESCc1nc(CCNS(=O)(=O)Cc2ccccc2N)cs1
InChIInChI=1S/C13H17N3O2S2/c1-10-16-12(8-19-10)6-7-15-20(17,18)9-11-4-2-3-5-13(11)14/h2-5,8,15H,6-7,9,14H2,1H3
InChIKeyOXOWPDVFQNHJAO-UHFFFAOYSA-N
XLogP1.70
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-chlorophenyl)methanesulfonamide
CID 110717938
2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 106049175
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110317221
1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 62019955
5-amino-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 18554591
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoylmethyl]benzoic acid
CID 166178742
2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106049676
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113222746
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 106049680
1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 61068746
1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide (CID 106034147) is 1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide is Cc1nc(CCNS(=O)(=O)Cc2ccccc2N)cs1.
What is the InChIKey of 1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide?
The InChIKey is OXOWPDVFQNHJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-10-16-12(8-19-10)6-7-15-20(17,18)9-11-4-2-3-5-13(11)14/h2-5,8,15H,6-7,9,14H2,1H3.
What are the key properties of 1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide?
1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 106034147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).