2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride

C7H10FN3O5S3 — CID 126829959

IUPAC2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride
SMILESCN(CC(=O)Nc1ncc(S(=O)(=O)F)s1)S(C)(=O)=O
InChIInChI=1S/C7H10FN3O5S3/c1-11(18(2,13)14)4-5(12)10-7-9-3-6(17-7)19(8,15)16/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyHSJSOAYHBJOKIY-UHFFFAOYSA-N
MW331.37 g/mol
LogP-0.37
Rot. Bonds5

About 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride

2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride (PubChem CID 126829959) has the molecular formula C7H10FN3O5S3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride
PubChem CID126829959
Molecular FormulaC7H10FN3O5S3
Molecular Weight331.37 g/mol
Exact Mass330.98
IUPAC Name2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride
SMILESCN(CC(=O)Nc1ncc(S(=O)(=O)F)s1)S(C)(=O)=O
InChIInChI=1S/C7H10FN3O5S3/c1-11(18(2,13)14)4-5(12)10-7-9-3-6(17-7)19(8,15)16/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyHSJSOAYHBJOKIY-UHFFFAOYSA-N
XLogP-0.37
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride?
The IUPAC name of 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride (CID 126829959) is 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride.
What is the SMILES notation for 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride?
The canonical SMILES for 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride is CN(CC(=O)Nc1ncc(S(=O)(=O)F)s1)S(C)(=O)=O.
What is the InChIKey of 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride?
The InChIKey is HSJSOAYHBJOKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O5S3/c1-11(18(2,13)14)4-5(12)10-7-9-3-6(17-7)19(8,15)16/h3H,4H2,1-2H3,(H,9,10,12).
What are the key properties of 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride?
2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride has a molecular weight of 331.37 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride is sourced from PubChem (CID 126829959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).