3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide

C15H19ClN6OS — CID 30825651

IUPAC3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide
SMILESCN(C)c1nc(N)nc(CSCCC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H19ClN6OS/c1-22(2)15-20-12(19-14(17)21-15)9-24-7-6-13(23)18-11-5-3-4-10(16)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,18,23)(H2,17,19,20,21)
InChIKeyWKDLSMNNJYHMQH-UHFFFAOYSA-N
MW366.88 g/mol
LogP2.44
Rot. Bonds7

About 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide

3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide (PubChem CID 30825651) has the molecular formula C15H19ClN6OS and a molecular weight of 366.88 g/mol. Its IUPAC name is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide
PubChem CID30825651
Molecular FormulaC15H19ClN6OS
Molecular Weight366.88 g/mol
Exact Mass366.10
IUPAC Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide
SMILESCN(C)c1nc(N)nc(CSCCC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H19ClN6OS/c1-22(2)15-20-12(19-14(17)21-15)9-24-7-6-13(23)18-11-5-3-4-10(16)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,18,23)(H2,17,19,20,21)
InChIKeyWKDLSMNNJYHMQH-UHFFFAOYSA-N
XLogP2.44
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.88
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide 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-(3,4-Dichlorophenyl)-2-{[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-YL]sulfanyl}acetamide
CID 1087034
2-((4-amino-6-(p-tolylamino)-1,3,5-triazin-2-yl)methylthio)-N-(2-chlorobenzyl)propanamide
CID 17523423
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(4-fluorophenyl)propanamide
CID 47065451
N-(3-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide
CID 788523
N-(3-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]propanamide
CID 2956876
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)propanamide
CID 17412418
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(5-chloro-2-fluorophenyl)acetamide
CID 16258229
2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 16368947
N-(3-chloro-4-fluorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]propanamide
CID 16388290
N-(3-chloro-4-fluorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 17406422
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,4-difluorophenyl)propanamide
CID 17412417
2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(2,4-difluorophenyl)propanamide
CID 24512362

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide (CID 30825651) is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide is CN(C)c1nc(N)nc(CSCCC(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide?
The InChIKey is WKDLSMNNJYHMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6OS/c1-22(2)15-20-12(19-14(17)21-15)9-24-7-6-13(23)18-11-5-3-4-10(16)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,18,23)(H2,17,19,20,21).
What are the key properties of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide?
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide has a molecular weight of 366.88 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 30825651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).