2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide

C15H19N5O2S — CID 73389082

IUPAC2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide
SMILESCc1nnc(SCc2ccc(OCC(=O)NC3CC3)cc2)n1N
InChIInChI=1S/C15H19N5O2S/c1-10-18-19-15(20(10)16)23-9-11-2-6-13(7-3-11)22-8-14(21)17-12-4-5-12/h2-3,6-7,12H,4-5,8-9,16H2,1H3,(H,17,21)
InChIKeyGLGJYVKPAXYYJA-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.25
Rot. Bonds7

About 2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide

2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide (PubChem CID 73389082) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide
PubChem CID73389082
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide
SMILESCc1nnc(SCc2ccc(OCC(=O)NC3CC3)cc2)n1N
InChIInChI=1S/C15H19N5O2S/c1-10-18-19-15(20(10)16)23-9-11-2-6-13(7-3-11)22-8-14(21)17-12-4-5-12/h2-3,6-7,12H,4-5,8-9,16H2,1H3,(H,17,21)
InChIKeyGLGJYVKPAXYYJA-UHFFFAOYSA-N
XLogP1.25
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.25
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
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
CID 7845143
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047
2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide
CID 73335786
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
N-cyclopropyl-2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17268917
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide
CID 119450074
N-cyclopropyl-4-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 42810691
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495370

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide (CID 73389082) is 2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide is Cc1nnc(SCc2ccc(OCC(=O)NC3CC3)cc2)n1N.
What is the InChIKey of 2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide?
The InChIKey is GLGJYVKPAXYYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10-18-19-15(20(10)16)23-9-11-2-6-13(7-3-11)22-8-14(21)17-12-4-5-12/h2-3,6-7,12H,4-5,8-9,16H2,1H3,(H,17,21).
What are the key properties of 2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide?
2-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide has a molecular weight of 333.42 g/mol, XLogP of 1.25, 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-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 73389082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).