2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide

C15H20N6OS — CID 27136726

IUPAC2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCc1ccc(Nc2nc(SCC(N)=O)nc(N(C)C)n2)cc1C
InChIInChI=1S/C15H20N6OS/c1-9-5-6-11(7-10(9)2)17-13-18-14(21(3)4)20-15(19-13)23-8-12(16)22/h5-7H,8H2,1-4H3,(H2,16,22)(H,17,18,19,20)
InChIKeyAQOAQWODGOTXBN-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.88
Rot. Bonds6

About 2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide

2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 27136726) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID27136726
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCc1ccc(Nc2nc(SCC(N)=O)nc(N(C)C)n2)cc1C
InChIInChI=1S/C15H20N6OS/c1-9-5-6-11(7-10(9)2)17-13-18-14(21(3)4)20-15(19-13)23-8-12(16)22/h5-7H,8H2,1-4H3,(H2,16,22)(H,17,18,19,20)
InChIKeyAQOAQWODGOTXBN-UHFFFAOYSA-N
XLogP1.88
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 27136726) is 2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is Cc1ccc(Nc2nc(SCC(N)=O)nc(N(C)C)n2)cc1C.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is AQOAQWODGOTXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-9-5-6-11(7-10(9)2)17-13-18-14(21(3)4)20-15(19-13)23-8-12(16)22/h5-7H,8H2,1-4H3,(H2,16,22)(H,17,18,19,20).
What are the key properties of 2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 27136726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).