N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide

C13H14FN3OS2 — CID 56822450

IUPACN-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(F)ccc1Sc1nccn1C
InChIInChI=1S/C13H14FN3OS2/c1-17-6-5-15-13(17)20-11-4-3-9(14)7-10(11)16-12(18)8-19-2/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeySNEAXMFESVHFTH-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.01
Rot. Bonds5

About N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide

N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide (PubChem CID 56822450) has the molecular formula C13H14FN3OS2 and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide
PubChem CID56822450
Molecular FormulaC13H14FN3OS2
Molecular Weight311.41 g/mol
Exact Mass311.06
IUPAC NameN-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(F)ccc1Sc1nccn1C
InChIInChI=1S/C13H14FN3OS2/c1-17-6-5-15-13(17)20-11-4-3-9(14)7-10(11)16-12(18)8-19-2/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeySNEAXMFESVHFTH-UHFFFAOYSA-N
XLogP3.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide
CID 95275387
N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide
CID 51102996
N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119759560
3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide
CID 119759543
(2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]oxolane-2-carboxamide;hydrochloride
CID 120790735
N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide
CID 60607516
[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 63674003
4-fluoro-2-(1-methylimidazol-2-yl)sulfanylaniline
CID 62377498
N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 60613873
5-fluoro-2-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoic acid
CID 63293008
N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 60622319
3-(2,5-difluorophenyl)-N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 102556994

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide (CID 56822450) is N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide is CSCC(=O)Nc1cc(F)ccc1Sc1nccn1C.
What is the InChIKey of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide?
The InChIKey is SNEAXMFESVHFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS2/c1-17-6-5-15-13(17)20-11-4-3-9(14)7-10(11)16-12(18)8-19-2/h3-7H,8H2,1-2H3,(H,16,18).
What are the key properties of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide?
N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide has a molecular weight of 311.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 56822450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).