N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine

C16H20N8S — CID 145040980

IUPACN-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCc2nnc(CNc3nc(C)cnc3C)s2)n1
InChIInChI=1S/C16H20N8S/c1-9-5-17-11(3)15(21-9)19-7-13-23-24-14(25-13)8-20-16-12(4)18-6-10(2)22-16/h5-6H,7-8H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyFZCPWUWYWGHYKR-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.58
Rot. Bonds6

About N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine

N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 145040980) has the molecular formula C16H20N8S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine
PubChem CID145040980
Molecular FormulaC16H20N8S
Molecular Weight356.46 g/mol
Exact Mass356.15
IUPAC NameN-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCc2nnc(CNc3nc(C)cnc3C)s2)n1
InChIInChI=1S/C16H20N8S/c1-9-5-17-11(3)15(21-9)19-7-13-23-24-14(25-13)8-20-16-12(4)18-6-10(2)22-16/h5-6H,7-8H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyFZCPWUWYWGHYKR-UHFFFAOYSA-N
XLogP2.58
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine with MolForge

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Related Compounds

2,5-Dimethyl-3-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}pyrazine
CID 132418466
N-[[2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3-thiazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine
CID 145040967
N-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine
CID 103059970
5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059972
N-ethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine
CID 103059974
5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103060352
N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine
CID 103060354
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 131962552
2-[4-(3,6-Dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 154786287

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine (CID 145040980) is N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine is Cc1cnc(C)c(NCc2nnc(CNc3nc(C)cnc3C)s2)n1.
What is the InChIKey of N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is FZCPWUWYWGHYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8S/c1-9-5-17-11(3)15(21-9)19-7-13-23-24-14(25-13)8-20-16-12(4)18-6-10(2)22-16/h5-6H,7-8H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine?
N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 356.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1,3,4-thiadiazol-2-yl]methyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 145040980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).