2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide

C19H20N6OS — CID 8970181

IUPAC2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSCc1nc(N)nc(Nc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H20N6OS/c1-25(15-10-6-3-7-11-15)17(26)13-27-12-16-22-18(20)24-19(23-16)21-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H3,20,21,22,23,24)
InChIKeyIISUDJZYSVZTCG-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.09
Rot. Bonds7

About 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide

2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide (PubChem CID 8970181) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide
PubChem CID8970181
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSCc1nc(N)nc(Nc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H20N6OS/c1-25(15-10-6-3-7-11-15)17(26)13-27-12-16-22-18(20)24-19(23-16)21-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H3,20,21,22,23,24)
InChIKeyIISUDJZYSVZTCG-UHFFFAOYSA-N
XLogP3.09
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide (CID 8970181) is 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide is CN(C(=O)CSCc1nc(N)nc(Nc2ccccc2)n1)c1ccccc1.
What is the InChIKey of 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide?
The InChIKey is IISUDJZYSVZTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-25(15-10-6-3-7-11-15)17(26)13-27-12-16-22-18(20)24-19(23-16)21-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide?
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide has a molecular weight of 380.48 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 8970181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).