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

C11H12FN3O2S2 — CID 63945591

IUPAC2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H12FN3O2S2/c1-7-10(18-11(13)15-7)19(16,17)14-6-8-2-4-9(12)5-3-8/h2-5,14H,6H2,1H3,(H2,13,15)
InChIKeyCAURKZXNSUMIOS-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.65
Rot. Bonds4

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

2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 63945591) has the molecular formula C11H12FN3O2S2 and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID63945591
Molecular FormulaC11H12FN3O2S2
Molecular Weight301.37 g/mol
Exact Mass301.04
IUPAC Name2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H12FN3O2S2/c1-7-10(18-11(13)15-7)19(16,17)14-6-8-2-4-9(12)5-3-8/h2-5,14H,6H2,1H3,(H2,13,15)
InChIKeyCAURKZXNSUMIOS-UHFFFAOYSA-N
XLogP1.65
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 63945591) is 2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is CAURKZXNSUMIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S2/c1-7-10(18-11(13)15-7)19(16,17)14-6-8-2-4-9(12)5-3-8/h2-5,14H,6H2,1H3,(H2,13,15).
What are the key properties of 2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63945591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).