N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide

C19H22N6O2S — CID 122254849

IUPACN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide
SMILESCN(C)c1nc(CNC(=O)c2cc3ccccc3s2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H22N6O2S/c1-24(2)18-21-16(22-19(23-18)25-7-9-27-10-8-25)12-20-17(26)15-11-13-5-3-4-6-14(13)28-15/h3-6,11H,7-10,12H2,1-2H3,(H,20,26)
InChIKeyZGWVQYBHINHZKQ-UHFFFAOYSA-N
MW398.49 g/mol
LogP1.92
Rot. Bonds5

About N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide

N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 122254849) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID122254849
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide
SMILESCN(C)c1nc(CNC(=O)c2cc3ccccc3s2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H22N6O2S/c1-24(2)18-21-16(22-19(23-18)25-7-9-27-10-8-25)12-20-17(26)15-11-13-5-3-4-6-14(13)28-15/h3-6,11H,7-10,12H2,1-2H3,(H,20,26)
InChIKeyZGWVQYBHINHZKQ-UHFFFAOYSA-N
XLogP1.92
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide 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-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 122254859
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 122254842
2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide
CID 122254848
2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide
CID 122254715
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254172
benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate
CID 122254862
5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254573
(E)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-(2-fluorophenyl)prop-2-enamide
CID 121138116
N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide
CID 122298901
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 122254858
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122254876
1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-(4-ethylphenyl)urea
CID 122254744

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide (CID 122254849) is N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide is CN(C)c1nc(CNC(=O)c2cc3ccccc3s2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ZGWVQYBHINHZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-24(2)18-21-16(22-19(23-18)25-7-9-27-10-8-25)12-20-17(26)15-11-13-5-3-4-6-14(13)28-15/h3-6,11H,7-10,12H2,1-2H3,(H,20,26).
What are the key properties of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide?
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 122254849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).