2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide

C14H13F2N3S — CID 144891541

IUPAC2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(Sc2cc(F)cc(F)c2)ccc1N
InChIInChI=1S/C14H13F2N3S/c1-19-14(18)12-7-10(2-3-13(12)17)20-11-5-8(15)4-9(16)6-11/h2-7H,17H2,1H3,(H2,18,19)
InChIKeyLLZDFEIIQGGFDL-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.03
Rot. Bonds3

About 2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide

2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide (PubChem CID 144891541) has the molecular formula C14H13F2N3S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide
PubChem CID144891541
Molecular FormulaC14H13F2N3S
Molecular Weight293.34 g/mol
Exact Mass293.08
IUPAC Name2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(Sc2cc(F)cc(F)c2)ccc1N
InChIInChI=1S/C14H13F2N3S/c1-19-14(18)12-7-10(2-3-13(12)17)20-11-5-8(15)4-9(16)6-11/h2-7H,17H2,1H3,(H2,18,19)
InChIKeyLLZDFEIIQGGFDL-UHFFFAOYSA-N
XLogP3.03
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide
CID 143388120
2-amino-5-(4-amino-3-carboxyphenyl)sulfanylbenzoic acid
CID 22061775
2-amino-4-bromo-5-[(3,5-difluorophenyl)methyl]-N'-methylbenzenecarboximidamide
CID 145101640
1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene
CID 86694942
2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide
CID 145192796
3-fluoro-5-(4-fluorophenyl)sulfanylaniline
CID 60876908
ethyl 2-amino-5-(3,4-difluorophenyl)sulfanylbenzoate
CID 63423696
1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 113423330
2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanylbenzoic acid
CID 62303956
2-amino-5-(4-bromophenyl)sulfanylbenzoic acid
CID 60986687
2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide
CID 142761632
2-amino-5-(4-ethylphenyl)sulfanylbenzoic acid
CID 91880175

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide?
The IUPAC name of 2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide (CID 144891541) is 2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide?
The canonical SMILES for 2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide is C/N=C(\N)c1cc(Sc2cc(F)cc(F)c2)ccc1N.
What is the InChIKey of 2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide?
The InChIKey is LLZDFEIIQGGFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3S/c1-19-14(18)12-7-10(2-3-13(12)17)20-11-5-8(15)4-9(16)6-11/h2-7H,17H2,1H3,(H2,18,19).
What are the key properties of 2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide?
2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide has a molecular weight of 293.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 144891541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).