2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide

C17H16N6O2S — CID 7415999

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
SMILESNc1nc(N)nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C17H16N6O2S/c18-15-21-16(19)23-17(22-15)26-10-14(24)20-11-6-8-13(9-7-11)25-12-4-2-1-3-5-12/h1-9H,10H2,(H,20,24)(H4,18,19,21,22,23)
InChIKeyRYLWFPSJPSXECB-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.56
Rot. Bonds6

About 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide

2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 7415999) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
PubChem CID7415999
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
SMILESNc1nc(N)nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C17H16N6O2S/c18-15-21-16(19)23-17(22-15)26-10-14(24)20-11-6-8-13(9-7-11)25-12-4-2-1-3-5-12/h1-9H,10H2,(H,20,24)(H4,18,19,21,22,23)
InChIKeyRYLWFPSJPSXECB-UHFFFAOYSA-N
XLogP2.56
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 1117486
N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 112777647
methyl 4-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 7415942
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 135498120
N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide
CID 166331146
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 2708716
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 27045966
N-benzhydryl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 7810110
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenoxy]phenyl]acetamide
CID 17324757
2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 135448826
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7415935
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
CID 5323049

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide (CID 7415999) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide is Nc1nc(N)nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is RYLWFPSJPSXECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c18-15-21-16(19)23-17(22-15)26-10-14(24)20-11-6-8-13(9-7-11)25-12-4-2-1-3-5-12/h1-9H,10H2,(H,20,24)(H4,18,19,21,22,23).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide?
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 368.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 7415999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).