3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide

C13H14FN3O2S2 — CID 116791735

IUPAC3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2nc3c(s2)CCC3)cc1F
InChIInChI=1S/C13H14FN3O2S2/c1-7-9(14)5-8(6-10(7)15)21(18,19)17-13-16-11-3-2-4-12(11)20-13/h5-6H,2-4,15H2,1H3,(H,16,17)
InChIKeyOQAJGBOGHMYEPX-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.46
Rot. Bonds3

About 3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide

3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide (PubChem CID 116791735) has the molecular formula C13H14FN3O2S2 and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide
PubChem CID116791735
Molecular FormulaC13H14FN3O2S2
Molecular Weight327.41 g/mol
Exact Mass327.05
IUPAC Name3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2nc3c(s2)CCC3)cc1F
InChIInChI=1S/C13H14FN3O2S2/c1-7-9(14)5-8(6-10(7)15)21(18,19)17-13-16-11-3-2-4-12(11)20-13/h5-6H,2-4,15H2,1H3,(H,16,17)
InChIKeyOQAJGBOGHMYEPX-UHFFFAOYSA-N
XLogP2.46
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201612
3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 116792346
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,4-dimethylbenzenesulfonamide
CID 84569915
2,3,5,6-tetramethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201617
3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 116792354
2,3,4,5,6-pentamethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201616
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyridine-2-sulfonamide
CID 103305510
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106053365
4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide
CID 106919755
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106053376
4-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 116528503
2,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzenesulfonamide
CID 3566516

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide (CID 116791735) is 3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)Nc2nc3c(s2)CCC3)cc1F.
What is the InChIKey of 3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide?
The InChIKey is OQAJGBOGHMYEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S2/c1-7-9(14)5-8(6-10(7)15)21(18,19)17-13-16-11-3-2-4-12(11)20-13/h5-6H,2-4,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide?
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 116791735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).