2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide

C17H24N6OS — CID 23790265

IUPAC2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCCNc1nc(NCC)nc(SCC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C17H24N6OS/c1-5-18-15-21-16(19-6-2)23-17(22-15)25-10-14(24)20-13-9-7-8-11(3)12(13)4/h7-9H,5-6,10H2,1-4H3,(H,20,24)(H2,18,19,21,22,23)
InChIKeyWTLOUWDQHKTPRX-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.08
Rot. Bonds8

About 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide

2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 23790265) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID23790265
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCCNc1nc(NCC)nc(SCC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C17H24N6OS/c1-5-18-15-21-16(19-6-2)23-17(22-15)25-10-14(24)20-13-9-7-8-11(3)12(13)4/h7-9H,5-6,10H2,1-4H3,(H,20,24)(H2,18,19,21,22,23)
InChIKeyWTLOUWDQHKTPRX-UHFFFAOYSA-N
XLogP3.08
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-{[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 2242295
2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
CID 3155205
2-[6-(dimethylamino)-4-(ethylamino)(1,3,5-triazin-2-ylthio)]-N-phenylpropanami de
CID 3155206
2-{[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
CID 1252650
2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 2079382
2-{[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 2236683
2-({4-[(4-Fluorophenyl)amino]-6-[(1-phenylethyl)amino]-1,3,5-triazin-2-yl}thio)acetamide
CID 2967128
2-{[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}-N-phenylpropanamide
CID 3572223
2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 4968404
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 7287267
2-{[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}-N-phenylacetamide
CID 1087029
2-{[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-(2-methylphenyl)acetamide
CID 1258280

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide (CID 23790265) is 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide is CCNc1nc(NCC)nc(SCC(=O)Nc2cccc(C)c2C)n1.
What is the InChIKey of 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is WTLOUWDQHKTPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-5-18-15-21-16(19-6-2)23-17(22-15)25-10-14(24)20-13-9-7-8-11(3)12(13)4/h7-9H,5-6,10H2,1-4H3,(H,20,24)(H2,18,19,21,22,23).
What are the key properties of 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 360.49 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 23790265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).