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

C11H10FN3OS2 — CID 24691872

IUPAC2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESNc1ncc(SCC(=O)Nc2cccc(F)c2)s1
InChIInChI=1S/C11H10FN3OS2/c12-7-2-1-3-8(4-7)15-9(16)6-17-10-5-14-11(13)18-10/h1-5H,6H2,(H2,13,14)(H,15,16)
InChIKeyJBRXVXXLMDJHIH-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.60
Rot. Bonds4

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

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (PubChem CID 24691872) has the molecular formula C11H10FN3OS2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
PubChem CID24691872
Molecular FormulaC11H10FN3OS2
Molecular Weight283.35 g/mol
Exact Mass283.02
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESNc1ncc(SCC(=O)Nc2cccc(F)c2)s1
InChIInChI=1S/C11H10FN3OS2/c12-7-2-1-3-8(4-7)15-9(16)6-17-10-5-14-11(13)18-10/h1-5H,6H2,(H2,13,14)(H,15,16)
InChIKeyJBRXVXXLMDJHIH-UHFFFAOYSA-N
XLogP2.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.60
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-methylphenyl)acetamide
CID 24701812
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 43250054
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 24706271
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 8674150
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79144177
2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 24706980
2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79533619
N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide
CID 43249743
N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7520018
N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362322
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 8674038
2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 7883378

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (CID 24691872) is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide is Nc1ncc(SCC(=O)Nc2cccc(F)c2)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is JBRXVXXLMDJHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS2/c12-7-2-1-3-8(4-7)15-9(16)6-17-10-5-14-11(13)18-10/h1-5H,6H2,(H2,13,14)(H,15,16).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 283.35 g/mol, XLogP of 2.60, 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-fluorophenyl)acetamide is sourced from PubChem (CID 24691872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).