N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C10H10FN5OS — CID 43612048

IUPACN-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESNc1ccc(F)cc1NC(=O)CSc1ncn[nH]1
InChIInChI=1S/C10H10FN5OS/c11-6-1-2-7(12)8(3-6)15-9(17)4-18-10-13-5-14-16-10/h1-3,5H,4,12H2,(H,15,17)(H,13,14,16)
InChIKeyLIZKWYVUGMDOEI-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.26
Rot. Bonds4

About N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 43612048) has the molecular formula C10H10FN5OS and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID43612048
Molecular FormulaC10H10FN5OS
Molecular Weight267.29 g/mol
Exact Mass267.06
IUPAC NameN-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESNc1ccc(F)cc1NC(=O)CSc1ncn[nH]1
InChIInChI=1S/C10H10FN5OS/c11-6-1-2-7(12)8(3-6)15-9(17)4-18-10-13-5-14-16-10/h1-3,5H,4,12H2,(H,15,17)(H,13,14,16)
InChIKeyLIZKWYVUGMDOEI-UHFFFAOYSA-N
XLogP1.26
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide
CID 63697445
N-(4-bromo-2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2343370
N-(2-amino-5-fluorophenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135956095
N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide
CID 106921808
2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 704548
N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2347051
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
N-(4-methoxy-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9458130
N-(2-bromo-4-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide;hydrochloride
CID 15945326
N-(4-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 712238
N-(2-amino-5-fluorophenyl)-2-(4-fluorophenoxy)acetamide
CID 43611984
N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 712248

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 43612048) is N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is Nc1ccc(F)cc1NC(=O)CSc1ncn[nH]1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is LIZKWYVUGMDOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5OS/c11-6-1-2-7(12)8(3-6)15-9(17)4-18-10-13-5-14-16-10/h1-3,5H,4,12H2,(H,15,17)(H,13,14,16).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 267.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 43612048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).