2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide

C12H14FN3O2S2 — CID 63945410

IUPAC2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC(C)c1ccccc1F
InChIInChI=1S/C12H14FN3O2S2/c1-7(9-5-3-4-6-10(9)13)16-20(17,18)11-8(2)15-12(14)19-11/h3-7,16H,1-2H3,(H2,14,15)
InChIKeyAIYAMPYRKQWLTN-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.21
Rot. Bonds4

About 2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide

2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 63945410) has the molecular formula C12H14FN3O2S2 and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID63945410
Molecular FormulaC12H14FN3O2S2
Molecular Weight315.40 g/mol
Exact Mass315.05
IUPAC Name2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC(C)c1ccccc1F
InChIInChI=1S/C12H14FN3O2S2/c1-7(9-5-3-4-6-10(9)13)16-20(17,18)11-8(2)15-12(14)19-11/h3-7,16H,1-2H3,(H2,14,15)
InChIKeyAIYAMPYRKQWLTN-UHFFFAOYSA-N
XLogP2.21
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(benzylsulfamoyl)-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
CID 12881451
4-(2-amino-1,3-thiazol-4-yl)-N,N-dimethylbenzene-1-sulfonamide
CID 4736955
N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 71461453
2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 2738725
N-(4-benzyl-1,3-thiazol-2-yl)methanesulfonamide
CID 86799006
1-[(3-Fluorophenyl)methyl]-3-[4-(methylsulfonylmethyl)-1,3-thiazol-2-yl]urea
CID 25205670
N'-(benzylsulfamoyl)-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
CID 53850465
N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide
CID 156782864
N-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 156782871
N-(4-phenyl-1,3-thiazol-2-yl)methanesulfonamide
CID 832315
4-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 957666
3-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 2421695

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 63945410) is 2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NC(C)c1ccccc1F.
What is the InChIKey of 2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is AIYAMPYRKQWLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S2/c1-7(9-5-3-4-6-10(9)13)16-20(17,18)11-8(2)15-12(14)19-11/h3-7,16H,1-2H3,(H2,14,15).
What are the key properties of 2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63945410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).