3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

C12H15N3O2S2 — CID 104868462

IUPAC3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cccc(N)c2)s1
InChIInChI=1S/C12H15N3O2S2/c1-2-10-7-14-12(18-10)8-15-19(16,17)11-5-3-4-9(13)6-11/h3-7,15H,2,8,13H2,1H3
InChIKeyFILUAZPTHUBTKM-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.77
Rot. Bonds5

About 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 104868462) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
PubChem CID104868462
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC Name3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cccc(N)c2)s1
InChIInChI=1S/C12H15N3O2S2/c1-2-10-7-14-12(18-10)8-15-19(16,17)11-5-3-4-9(13)6-11/h3-7,15H,2,8,13H2,1H3
InChIKeyFILUAZPTHUBTKM-UHFFFAOYSA-N
XLogP1.77
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.77
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

3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 104868457
5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid
CID 146092792
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 103698184
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 114182887
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 113252435
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667
3-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 104868500
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 20983487
3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881991
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63983724

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (CID 104868462) is 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is CCc1cnc(CNS(=O)(=O)c2cccc(N)c2)s1.
What is the InChIKey of 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is FILUAZPTHUBTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-2-10-7-14-12(18-10)8-15-19(16,17)11-5-3-4-9(13)6-11/h3-7,15H,2,8,13H2,1H3.
What are the key properties of 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 104868462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).