2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide

C12H15N5O2S — CID 653782

IUPAC2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide
SMILESCCOc1cccc(NC(=O)CSc2nncn2N)c1
InChIInChI=1S/C12H15N5O2S/c1-2-19-10-5-3-4-9(6-10)15-11(18)7-20-12-16-14-8-17(12)13/h3-6,8H,2,7,13H2,1H3,(H,15,18)
InChIKeySJYAAWNQDJZZAC-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.12
Rot. Bonds6

About 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide (PubChem CID 653782) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide
PubChem CID653782
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide
SMILESCCOc1cccc(NC(=O)CSc2nncn2N)c1
InChIInChI=1S/C12H15N5O2S/c1-2-19-10-5-3-4-9(6-10)15-11(18)7-20-12-16-14-8-17(12)13/h3-6,8H,2,7,13H2,1H3,(H,15,18)
InChIKeySJYAAWNQDJZZAC-UHFFFAOYSA-N
XLogP1.12
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 7743079
propyl 3-[[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 7743012
methyl 4-[[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 7730915
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenoxyphenyl)acetamide
CID 7977885
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2034480
N-(3,4-diethoxyphenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8988171
N-(2-ethoxyphenyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 42989411
2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 662980
N-(3-ethoxyphenyl)-2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17136727
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 3898863
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide (CID 653782) is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide is CCOc1cccc(NC(=O)CSc2nncn2N)c1.
What is the InChIKey of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide?
The InChIKey is SJYAAWNQDJZZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-2-19-10-5-3-4-9(6-10)15-11(18)7-20-12-16-14-8-17(12)13/h3-6,8H,2,7,13H2,1H3,(H,15,18).
What are the key properties of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide?
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide has a molecular weight of 293.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide is sourced from PubChem (CID 653782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).