2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide

C18H24N6O2S — CID 2949756

IUPAC2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCCNc1nc(SC(C)C(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H24N6O2S/c1-3-19-16-21-17(24-9-11-26-12-10-24)23-18(22-16)27-13(2)15(25)20-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,20,25)(H,19,21,22,23)
InChIKeyMSFLQDJCSBIVMK-UHFFFAOYSA-N
MW388.50 g/mol
LogP2.26
Rot. Bonds7

About 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide

2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide (PubChem CID 2949756) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
PubChem CID2949756
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCCNc1nc(SC(C)C(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H24N6O2S/c1-3-19-16-21-17(24-9-11-26-12-10-24)23-18(22-16)27-13(2)15(25)20-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,20,25)(H,19,21,22,23)
InChIKeyMSFLQDJCSBIVMK-UHFFFAOYSA-N
XLogP2.26
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-(2-((4,6-Bis(diethylamino)-1,3,5-triazin-2-yl)oxy)ethyl)-3-phenylurea
CID 4364919
6-methoxy-N-[2-(4-morpholinyl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 694565
2-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
CID 2982947
2-{[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}-N-phenylacetamide
CID 1002154
N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 1002158
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-(4-morpholinyl)phenyl]acetamide
CID 1090938
2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 1091695
2-{[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
CID 1252650
2-{[4-(isopropylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 1252702

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
The IUPAC name of 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide (CID 2949756) is 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
The canonical SMILES for 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide is CCNc1nc(SC(C)C(=O)Nc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
The InChIKey is MSFLQDJCSBIVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-3-19-16-21-17(24-9-11-26-12-10-24)23-18(22-16)27-13(2)15(25)20-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,20,25)(H,19,21,22,23).
What are the key properties of 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide has a molecular weight of 388.50 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 2949756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).