2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid

C16H19N5O2S — CID 4767508

IUPAC2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(Nc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H19N5O2S/c22-13(23)11-24-16-19-14(17-12-7-3-1-4-8-12)18-15(20-16)21-9-5-2-6-10-21/h1,3-4,7-8H,2,5-6,9-11H2,(H,22,23)(H,17,18,19,20)
InChIKeyOUDLNHINFGGQDJ-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.78
Rot. Bonds6

About 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid

2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid (PubChem CID 4767508) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid
PubChem CID4767508
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(Nc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H19N5O2S/c22-13(23)11-24-16-19-14(17-12-7-3-1-4-8-12)18-15(20-16)21-9-5-2-6-10-21/h1,3-4,7-8H,2,5-6,9-11H2,(H,22,23)(H,17,18,19,20)
InChIKeyOUDLNHINFGGQDJ-UHFFFAOYSA-N
XLogP2.78
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid with MolForge

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Related Compounds

2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoic acid
CID 4767594
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
CID 1251793
N-(4-acetamidophenyl)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 126394751
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 126394126
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 126396260
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 126397519
N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide
CID 46854707
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 2989170
N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885
(2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
CID 5441897
N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 5180598
N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
CID 155545896

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid (CID 4767508) is 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid is O=C(O)CSc1nc(Nc2ccccc2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid?
The InChIKey is OUDLNHINFGGQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c22-13(23)11-24-16-19-14(17-12-7-3-1-4-8-12)18-15(20-16)21-9-5-2-6-10-21/h1,3-4,7-8H,2,5-6,9-11H2,(H,22,23)(H,17,18,19,20).
What are the key properties of 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid?
2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid has a molecular weight of 345.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 4767508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).