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

C12H14FN3O2S2 — CID 63945798

IUPAC2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C12H14FN3O2S2/c1-8-11(19-12(14)15-8)20(17,18)16(2)7-9-5-3-4-6-10(9)13/h3-6H,7H2,1-2H3,(H2,14,15)
InChIKeyLKXNHGSTVXARCS-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.99
Rot. Bonds4

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

2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 63945798) has the molecular formula C12H14FN3O2S2 and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID63945798
Molecular FormulaC12H14FN3O2S2
Molecular Weight315.40 g/mol
Exact Mass315.05
IUPAC Name2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C12H14FN3O2S2/c1-8-11(19-12(14)15-8)20(17,18)16(2)7-9-5-3-4-6-10(9)13/h3-6H,7H2,1-2H3,(H2,14,15)
InChIKeyLKXNHGSTVXARCS-UHFFFAOYSA-N
XLogP1.99
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 63945798) is 2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)N(C)Cc1ccccc1F.
What is the InChIKey of 2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is LKXNHGSTVXARCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S2/c1-8-11(19-12(14)15-8)20(17,18)16(2)7-9-5-3-4-6-10(9)13/h3-6H,7H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63945798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).