N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide

C17H19N7OS — CID 70729858

IUPACN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide
SMILESCN(C)c1nc(N)nc(CNC(=O)c2csc(Cc3ccccc3)n2)n1
InChIInChI=1S/C17H19N7OS/c1-24(2)17-22-13(21-16(18)23-17)9-19-15(25)12-10-26-14(20-12)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H2,18,21,22,23)
InChIKeyAPWGIPJOGDRWDI-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.50
Rot. Bonds6

About N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide

N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide (PubChem CID 70729858) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide
PubChem CID70729858
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC NameN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide
SMILESCN(C)c1nc(N)nc(CNC(=O)c2csc(Cc3ccccc3)n2)n1
InChIInChI=1S/C17H19N7OS/c1-24(2)17-22-13(21-16(18)23-17)9-19-15(25)12-10-26-14(20-12)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H2,18,21,22,23)
InChIKeyAPWGIPJOGDRWDI-UHFFFAOYSA-N
XLogP1.50
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide (CID 70729858) is N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide is CN(C)c1nc(N)nc(CNC(=O)c2csc(Cc3ccccc3)n2)n1.
What is the InChIKey of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide?
The InChIKey is APWGIPJOGDRWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-24(2)17-22-13(21-16(18)23-17)9-19-15(25)12-10-26-14(20-12)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H2,18,21,22,23).
What are the key properties of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide?
N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-benzyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70729858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).