N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine

C17H21N7S — CID 145040967

IUPACN-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCc2cnc(CNc3nc(C)cnc3C)s2)n1
InChIInChI=1S/C17H21N7S/c1-10-5-18-12(3)16(23-10)21-8-14-7-20-15(25-14)9-22-17-13(4)19-6-11(2)24-17/h5-7H,8-9H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyBFLKNSCAJRQBLI-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.18
Rot. Bonds6

About N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine

N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 145040967) has the molecular formula C17H21N7S and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine
PubChem CID145040967
Molecular FormulaC17H21N7S
Molecular Weight355.47 g/mol
Exact Mass355.16
IUPAC NameN-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCc2cnc(CNc3nc(C)cnc3C)s2)n1
InChIInChI=1S/C17H21N7S/c1-10-5-18-12(3)16(23-10)21-8-14-7-20-15(25-14)9-22-17-13(4)19-6-11(2)24-17/h5-7H,8-9H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyBFLKNSCAJRQBLI-UHFFFAOYSA-N
XLogP3.18
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine with MolForge

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Related Compounds

4-Methyl-2-[2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 53620824
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 91793177
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 91651070
2-[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-5-methyl-1,3-thiazole
CID 124296068
3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine
CID 164631293
6-(5-Methyl-1,3-thiazol-2-yl)pyrazin-2-amine
CID 89142526
2-Methyl-5-[(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazine
CID 141833005
N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine
CID 145040980
2,4-Dimethyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 39817822
2-[4-[(5-Methylpyrazin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 53554727
4-Methyl-2-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 53559810
[3-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]pyrazin-2-yl]methanamine
CID 55104352

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine (CID 145040967) is N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine is Cc1cnc(C)c(NCc2cnc(CNc3nc(C)cnc3C)s2)n1.
What is the InChIKey of N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is BFLKNSCAJRQBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7S/c1-10-5-18-12(3)16(23-10)21-8-14-7-20-15(25-14)9-22-17-13(4)19-6-11(2)24-17/h5-7H,8-9H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine?
N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 355.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 145040967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).