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

C8H9N7O2S — CID 16594187

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide
SMILESNc1nc(N)nc(SCC(=O)Nc2ccon2)n1
InChIInChI=1S/C8H9N7O2S/c9-6-12-7(10)14-8(13-6)18-3-5(16)11-4-1-2-17-15-4/h1-2H,3H2,(H,11,15,16)(H4,9,10,12,13,14)
InChIKeyGKCVJYQKQKUDJD-UHFFFAOYSA-N
MW267.27 g/mol
LogP-0.25
Rot. Bonds4

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

2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 16594187) has the molecular formula C8H9N7O2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID16594187
Molecular FormulaC8H9N7O2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide
SMILESNc1nc(N)nc(SCC(=O)Nc2ccon2)n1
InChIInChI=1S/C8H9N7O2S/c9-6-12-7(10)14-8(13-6)18-3-5(16)11-4-1-2-17-15-4/h1-2H,3H2,(H,11,15,16)(H4,9,10,12,13,14)
InChIKeyGKCVJYQKQKUDJD-UHFFFAOYSA-N
XLogP-0.25
TPSA145.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide with MolForge

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide
CID 16595927
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-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7415999
N-(2-chloro-4-fluorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 7810086
N-benzhydryl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 7810110
N-(1,2-oxazol-3-yl)-3-oxobutanamide
CID 62902230
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7415946
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7415935
N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 16610863
2,2-difluoro-N-(1,2-oxazol-3-yl)acetamide
CID 103515463
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide (CID 16594187) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide is Nc1nc(N)nc(SCC(=O)Nc2ccon2)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is GKCVJYQKQKUDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O2S/c9-6-12-7(10)14-8(13-6)18-3-5(16)11-4-1-2-17-15-4/h1-2H,3H2,(H,11,15,16)(H4,9,10,12,13,14).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide?
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 267.27 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 16594187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).