5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine

C9H6F2N2OS2 — CID 15729167

IUPAC5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine
SMILESNc1ncc(S(=O)c2ccc(F)cc2F)s1
InChIInChI=1S/C9H6F2N2OS2/c10-5-1-2-7(6(11)3-5)16(14)8-4-13-9(12)15-8/h1-4H,(H2,12,13)
InChIKeySKFGITZGFGBSOM-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.17
Rot. Bonds2

About 5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine

5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine (PubChem CID 15729167) has the molecular formula C9H6F2N2OS2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine
PubChem CID15729167
Molecular FormulaC9H6F2N2OS2
Molecular Weight260.29 g/mol
Exact Mass259.99
IUPAC Name5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine
SMILESNc1ncc(S(=O)c2ccc(F)cc2F)s1
InChIInChI=1S/C9H6F2N2OS2/c10-5-1-2-7(6(11)3-5)16(14)8-4-13-9(12)15-8/h1-4H,(H2,12,13)
InChIKeySKFGITZGFGBSOM-UHFFFAOYSA-N
XLogP2.17
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine (CID 15729167) is 5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine is Nc1ncc(S(=O)c2ccc(F)cc2F)s1.
What is the InChIKey of 5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine?
The InChIKey is SKFGITZGFGBSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2OS2/c10-5-1-2-7(6(11)3-5)16(14)8-4-13-9(12)15-8/h1-4H,(H2,12,13).
What are the key properties of 5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine?
5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine has a molecular weight of 260.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)sulfinyl-1,3-thiazol-2-amine is sourced from PubChem (CID 15729167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).