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

C13H16FN3O2S2 — CID 63944445

IUPAC2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2S2/c1-8(7-10-3-5-11(14)6-4-10)17-21(18,19)12-9(2)16-13(15)20-12/h3-6,8,17H,7H2,1-2H3,(H2,15,16)
InChIKeyQNENHOVKYRICTN-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.08
Rot. Bonds5

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

2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 63944445) has the molecular formula C13H16FN3O2S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID63944445
Molecular FormulaC13H16FN3O2S2
Molecular Weight329.42 g/mol
Exact Mass329.07
IUPAC Name2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2S2/c1-8(7-10-3-5-11(14)6-4-10)17-21(18,19)12-9(2)16-13(15)20-12/h3-6,8,17H,7H2,1-2H3,(H2,15,16)
InChIKeyQNENHOVKYRICTN-UHFFFAOYSA-N
XLogP2.08
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-N-(5-(N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methylsulfamoyl)-4-methylthiazol-2-yl)acetamide
CID 53326704
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 742422
N-(4-benzyl-1,3-thiazol-2-yl)methanesulfonamide
CID 86799006
5-(3-Fluoro-4-(methylsulfonyl)phenyl)-4-methylthiazol-2-amine
CID 57351277
5-(4-Fluoro-3-methanesulfonyl-phenyl)-4-methyl-thiazol-2-ylamine
CID 57473750
5-[3-(Fluoromethylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine
CID 87771737
1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide
CID 139604852
N'-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanylmethyl]-N-(4-methylphenyl)sulfonylmethanimidamide
CID 134852334
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]ethanesulfonamide
CID 4339986
5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28716588
5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide
CID 28716592
3-(aminomethyl)-4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28717100

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 63944445) is 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NC(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is QNENHOVKYRICTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S2/c1-8(7-10-3-5-11(14)6-4-10)17-21(18,19)12-9(2)16-13(15)20-12/h3-6,8,17H,7H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63944445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).