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

C15H18Cl2N6OS — CID 1087034

IUPACN-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCCNc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N(C)C)n1
InChIInChI=1S/C15H18Cl2N6OS/c1-4-18-13-20-14(23(2)3)22-15(21-13)25-8-12(24)19-9-5-6-10(16)11(17)7-9/h5-7H,4,8H2,1-3H3,(H,19,24)(H,18,20,21,22)
InChIKeyLRGOAXCPEGPYNI-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.41
Rot. Bonds7

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

N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 1087034) has the molecular formula C15H18Cl2N6OS and a molecular weight of 401.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID1087034
Molecular FormulaC15H18Cl2N6OS
Molecular Weight401.32 g/mol
Exact Mass400.06
IUPAC NameN-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCCNc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N(C)C)n1
InChIInChI=1S/C15H18Cl2N6OS/c1-4-18-13-20-14(23(2)3)22-15(21-13)25-8-12(24)19-9-5-6-10(16)11(17)7-9/h5-7H,4,8H2,1-3H3,(H,19,24)(H,18,20,21,22)
InChIKeyLRGOAXCPEGPYNI-UHFFFAOYSA-N
XLogP3.41
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide 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

N-(2-Chloro-phenyl)-2-(4-dimethylamino-6-methoxy-[1,3,5]triazin-2-ylsulfanyl)-acetamide
CID 1916401
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
(2Z)-N-(3,4-dichlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide
CID 661493
N-(3,4-dichlorophenyl)-2-{[4-(ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}acetamide
CID 1002158
N-(3,4-dichlorophenyl)-2-{[4-(methylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetamide
CID 2992072
2-{[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]thio}-N-(2-chlorophenyl)acetamide
CID 2213607
2-{[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]thio}-N-(3,4-dichlorophenyl)acetamide
CID 2215367
N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide
CID 2950482
N-(3,4-Dichloro-phenyl)-2-(4-dimethylamino-6-morpholin-4-yl-[1,3,5]triazin-2-ylsulfanyl)-acetamide
CID 6492046
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide
CID 30825651
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-(2,3-dichlorophenyl)acetamide
CID 1504906

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 1087034) is N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is CCNc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N(C)C)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is LRGOAXCPEGPYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N6OS/c1-4-18-13-20-14(23(2)3)22-15(21-13)25-8-12(24)19-9-5-6-10(16)11(17)7-9/h5-7H,4,8H2,1-3H3,(H,19,24)(H,18,20,21,22).
What are the key properties of N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 401.32 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1087034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).