2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide

C11H9F2N3OS2 — CID 43250054

IUPAC2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
SMILESNc1ncc(SCC(=O)Nc2ccc(F)c(F)c2)s1
InChIInChI=1S/C11H9F2N3OS2/c12-7-2-1-6(3-8(7)13)16-9(17)5-18-10-4-15-11(14)19-10/h1-4H,5H2,(H2,14,15)(H,16,17)
InChIKeyDZSZEMOWTQFZIK-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.73
Rot. Bonds4

About 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide (PubChem CID 43250054) has the molecular formula C11H9F2N3OS2 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
PubChem CID43250054
Molecular FormulaC11H9F2N3OS2
Molecular Weight301.34 g/mol
Exact Mass301.02
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
SMILESNc1ncc(SCC(=O)Nc2ccc(F)c(F)c2)s1
InChIInChI=1S/C11H9F2N3OS2/c12-7-2-1-6(3-8(7)13)16-9(17)5-18-10-4-15-11(14)19-10/h1-4H,5H2,(H2,14,15)(H,16,17)
InChIKeyDZSZEMOWTQFZIK-UHFFFAOYSA-N
XLogP2.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 24691872
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 24706271
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 24701812
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide
CID 43249738
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 43301917
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128069
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128105
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(methylcarbamoyl)acetamide
CID 43250123
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 3163265

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide (CID 43250054) is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide is Nc1ncc(SCC(=O)Nc2ccc(F)c(F)c2)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is DZSZEMOWTQFZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3OS2/c12-7-2-1-6(3-8(7)13)16-9(17)5-18-10-4-15-11(14)19-10/h1-4H,5H2,(H2,14,15)(H,16,17).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 301.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 43250054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).