2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide

C16H16FN5O2S — CID 78729168

IUPAC2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N)c1ccco1
InChIInChI=1S/C16H16FN5O2S/c1-10(13-3-2-8-24-13)19-14(23)9-25-16-21-20-15(22(16)18)11-4-6-12(17)7-5-11/h2-8,10H,9,18H2,1H3,(H,19,23)
InChIKeyLYAYLYDDTLSGHN-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.36
Rot. Bonds6

About 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide

2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide (PubChem CID 78729168) has the molecular formula C16H16FN5O2S and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide
PubChem CID78729168
Molecular FormulaC16H16FN5O2S
Molecular Weight361.40 g/mol
Exact Mass361.10
IUPAC Name2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N)c1ccco1
InChIInChI=1S/C16H16FN5O2S/c1-10(13-3-2-8-24-13)19-14(23)9-25-16-21-20-15(22(16)18)11-4-6-12(17)7-5-11/h2-8,10H,9,18H2,1H3,(H,19,23)
InChIKeyLYAYLYDDTLSGHN-UHFFFAOYSA-N
XLogP2.36
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide with MolForge

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Related Compounds

2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 8569743
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 7989503
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4876948
2-[3-(furan-2-yl)-5-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide
CID 42935997
methyl (2R,3R)-2-[[2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylpentanoate
CID 8580705
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)acetamide
CID 78495525
N-[1-(furan-2-yl)ethyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 43033023
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 94859815
2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 41155172
2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 24565495
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-(2-chlorophenyl)ethyl]acetamide
CID 7863483
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 2525075

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide (CID 78729168) is 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide is CC(NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N)c1ccco1.
What is the InChIKey of 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide?
The InChIKey is LYAYLYDDTLSGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2S/c1-10(13-3-2-8-24-13)19-14(23)9-25-16-21-20-15(22(16)18)11-4-6-12(17)7-5-11/h2-8,10H,9,18H2,1H3,(H,19,23).
What are the key properties of 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide?
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide has a molecular weight of 361.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 78729168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).