2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide

C17H17N5O2S — CID 73335786

IUPAC2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CSc2nnc(-c3ccccc3)n2N)cc1
InChIInChI=1S/C17H17N5O2S/c18-15(23)10-24-14-8-6-12(7-9-14)11-25-17-21-20-16(22(17)19)13-4-2-1-3-5-13/h1-9H,10-11,19H2,(H2,18,23)
InChIKeyOZMVLQMFNCJFGJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.82
Rot. Bonds7

About 2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide

2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide (PubChem CID 73335786) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide
PubChem CID73335786
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CSc2nnc(-c3ccccc3)n2N)cc1
InChIInChI=1S/C17H17N5O2S/c18-15(23)10-24-14-8-6-12(7-9-14)11-25-17-21-20-16(22(17)19)13-4-2-1-3-5-13/h1-9H,10-11,19H2,(H2,18,23)
InChIKeyOZMVLQMFNCJFGJ-UHFFFAOYSA-N
XLogP1.82
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-methylacetamide
CID 73335788
3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 807941
4-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
CID 933498
3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine
CID 3771171
4-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 27349523
3-[(4-methoxyphenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-amine
CID 936376
3-[2-(4-fluorophenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine
CID 78763094
3-[3-(4-fluorophenoxy)propylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine
CID 78763033
2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide
CID 73389082
4-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
CID 2650804
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylacetamide
CID 78763376
2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 78503288

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide (CID 73335786) is 2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide is NC(=O)COc1ccc(CSc2nnc(-c3ccccc3)n2N)cc1.
What is the InChIKey of 2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide?
The InChIKey is OZMVLQMFNCJFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c18-15(23)10-24-14-8-6-12(7-9-14)11-25-17-21-20-16(22(17)19)13-4-2-1-3-5-13/h1-9H,10-11,19H2,(H2,18,23).
What are the key properties of 2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide?
2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide has a molecular weight of 355.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide is sourced from PubChem (CID 73335786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).