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

C12H14FN3O2S2 — CID 63944807

IUPAC2-amino-N-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C12H14FN3O2S2/c1-8-11(19-12(14)15-8)20(17,18)16(2)7-9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3,(H2,14,15)
InChIKeyIKHQQEVCXOQYSI-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.99
Rot. Bonds4

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

2-amino-N-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 63944807) has the molecular formula C12H14FN3O2S2 and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-amino-N-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID63944807
Molecular FormulaC12H14FN3O2S2
Molecular Weight315.40 g/mol
Exact Mass315.05
IUPAC Name2-amino-N-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C12H14FN3O2S2/c1-8-11(19-12(14)15-8)20(17,18)16(2)7-9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3,(H2,14,15)
InChIKeyIKHQQEVCXOQYSI-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 63944807) is 2-amino-N-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-amino-N-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is IKHQQEVCXOQYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S2/c1-8-11(19-12(14)15-8)20(17,18)16(2)7-9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-N-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
2-amino-N-[(3-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-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63944807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).