5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine

C11H11F2N3O2S2 — CID 103380643

IUPAC5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCS(=O)(=O)c1c(N)nsc1NCc1cc(F)ccc1F
InChIInChI=1S/C11H11F2N3O2S2/c1-20(17,18)9-10(14)16-19-11(9)15-5-6-4-7(12)2-3-8(6)13/h2-4,15H,5H2,1H3,(H2,14,16)
InChIKeySEIFAWBWUWYBFA-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.02
Rot. Bonds4

About 5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine

5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103380643) has the molecular formula C11H11F2N3O2S2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103380643
Molecular FormulaC11H11F2N3O2S2
Molecular Weight319.36 g/mol
Exact Mass319.03
IUPAC Name5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCS(=O)(=O)c1c(N)nsc1NCc1cc(F)ccc1F
InChIInChI=1S/C11H11F2N3O2S2/c1-20(17,18)9-10(14)16-19-11(9)15-5-6-4-7(12)2-3-8(6)13/h2-4,15H,5H2,1H3,(H2,14,16)
InChIKeySEIFAWBWUWYBFA-UHFFFAOYSA-N
XLogP2.02
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382558
5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 106015690
4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103378499
1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79364544
5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103378174
2-amino-3-[(2,5-difluorophenyl)methylamino]benzenesulfonamide
CID 115992748
4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103364034
3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 63795143
4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine
CID 113367849
5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide
CID 43312702
N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304955
1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine
CID 82239345

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 103380643) is 5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine is CS(=O)(=O)c1c(N)nsc1NCc1cc(F)ccc1F.
What is the InChIKey of 5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is SEIFAWBWUWYBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S2/c1-20(17,18)9-10(14)16-19-11(9)15-5-6-4-7(12)2-3-8(6)13/h2-4,15H,5H2,1H3,(H2,14,16).
What are the key properties of 5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 319.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103380643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).