N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide

C13H15F2N5O2S2 — CID 168626751

IUPACN-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C=NNc2nc(N)cs2)c1F
InChIInChI=1S/C13H15F2N5O2S2/c1-2-5-24(21,22)20-10-4-3-9(14)8(12(10)15)6-17-19-13-18-11(16)7-23-13/h3-4,6-7,20H,2,5,16H2,1H3,(H,18,19)
InChIKeyAGZICZBXXJMUBM-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.60
Rot. Bonds7

About N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide

N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 168626751) has the molecular formula C13H15F2N5O2S2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide
PubChem CID168626751
Molecular FormulaC13H15F2N5O2S2
Molecular Weight375.43 g/mol
Exact Mass375.06
IUPAC NameN-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C=NNc2nc(N)cs2)c1F
InChIInChI=1S/C13H15F2N5O2S2/c1-2-5-24(21,22)20-10-4-3-9(14)8(12(10)15)6-17-19-13-18-11(16)7-23-13/h3-4,6-7,20H,2,5,16H2,1H3,(H,18,19)
InChIKeyAGZICZBXXJMUBM-UHFFFAOYSA-N
XLogP2.60
TPSA109.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-[2-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623808
N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide
CID 168530000
N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide
CID 53419003
2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625881
2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628077
N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide
CID 168627401
2-N-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627946
2-N-[(3-butoxy-4-fluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626008
2-N-[(2,3,4,5,6-pentamethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626305
2-N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627080
2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628178
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide (CID 168626751) is N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C=NNc2nc(N)cs2)c1F.
What is the InChIKey of N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The InChIKey is AGZICZBXXJMUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O2S2/c1-2-5-24(21,22)20-10-4-3-9(14)8(12(10)15)6-17-19-13-18-11(16)7-23-13/h3-4,6-7,20H,2,5,16H2,1H3,(H,18,19).
What are the key properties of N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide?
N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 375.43 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 168626751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).