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

C17H16N6OS — CID 40881785

IUPAC(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide
SMILESNc1nc(N)nc(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C17H16N6OS/c18-15-21-16(19)23-17(22-15)25-13(11-7-3-1-4-8-11)14(24)20-12-9-5-2-6-10-12/h1-10,13H,(H,20,24)(H4,18,19,21,22,23)/t13-/m0/s1
InChIKeyYUSQCLUIHQZNKG-ZDUSSCGKSA-N
MW352.42 g/mol
LogP2.51
Rot. Bonds5

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

(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide (PubChem CID 40881785) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide
PubChem CID40881785
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide
SMILESNc1nc(N)nc(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C17H16N6OS/c18-15-21-16(19)23-17(22-15)25-13(11-7-3-1-4-8-11)14(24)20-12-9-5-2-6-10-12/h1-10,13H,(H,20,24)(H4,18,19,21,22,23)/t13-/m0/s1
InChIKeyYUSQCLUIHQZNKG-ZDUSSCGKSA-N
XLogP2.51
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 112777638
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylbutanamide
CID 41176312
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,2-diphenylacetamide
CID 24557252
(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8010932
N-(4-methylphenyl)-2-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18283216
2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide
CID 18894387
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,2-diphenylacetamide
CID 46658289
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 136822574
2-(3-aminophenyl)sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
CID 18894384

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide?
The IUPAC name of (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide (CID 40881785) is (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide.
What is the SMILES notation for (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide?
The canonical SMILES for (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide is Nc1nc(N)nc(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1.
What is the InChIKey of (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide?
The InChIKey is YUSQCLUIHQZNKG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16N6OS/c18-15-21-16(19)23-17(22-15)25-13(11-7-3-1-4-8-11)14(24)20-12-9-5-2-6-10-12/h1-10,13H,(H,20,24)(H4,18,19,21,22,23)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide?
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide has a molecular weight of 352.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide is sourced from PubChem (CID 40881785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).