N-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide

C17H16FN3O2S2 — CID 156782871

IUPACN-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2sc(N)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN3O2S2/c1-11-2-8-14(9-3-11)25(22,23)20-10-15-16(21-17(19)24-15)12-4-6-13(18)7-5-12/h2-9,20H,10H2,1H3,(H2,19,21)
InChIKeyYFHWNROSZGWFPS-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.32
Rot. Bonds5

About N-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide

N-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 156782871) has the molecular formula C17H16FN3O2S2 and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID156782871
Molecular FormulaC17H16FN3O2S2
Molecular Weight377.47 g/mol
Exact Mass377.07
IUPAC NameN-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2sc(N)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN3O2S2/c1-11-2-8-14(9-3-11)25(22,23)20-10-15-16(21-17(19)24-15)12-4-6-13(18)7-5-12/h2-9,20H,10H2,1H3,(H2,19,21)
InChIKeyYFHWNROSZGWFPS-UHFFFAOYSA-N
XLogP3.32
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide (CID 156782871) is N-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2sc(N)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is YFHWNROSZGWFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S2/c1-11-2-8-14(9-3-11)25(22,23)20-10-15-16(21-17(19)24-15)12-4-6-13(18)7-5-12/h2-9,20H,10H2,1H3,(H2,19,21).
What are the key properties of N-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide?
N-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 156782871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).