2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

C10H11N9S — CID 80846480

IUPAC2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCc2cscn2)nc(-n2cncn2)n1
InChIInChI=1S/C10H11N9S/c11-8-16-9(13-2-1-7-3-20-6-14-7)18-10(17-8)19-5-12-4-15-19/h3-6H,1-2H2,(H3,11,13,16,17,18)
InChIKeyOFXWUNATQPBHOP-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.15
Rot. Bonds5

About 2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80846480) has the molecular formula C10H11N9S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80846480
Molecular FormulaC10H11N9S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCc2cscn2)nc(-n2cncn2)n1
InChIInChI=1S/C10H11N9S/c11-8-16-9(13-2-1-7-3-20-6-14-7)18-10(17-8)19-5-12-4-15-19/h3-6H,1-2H2,(H3,11,13,16,17,18)
InChIKeyOFXWUNATQPBHOP-UHFFFAOYSA-N
XLogP0.15
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80846392
2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80813858
2-N-[2-[ethyl(methyl)amino]ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80832325
2-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215607
2-N-benzyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80770243
3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
CID 80814266
2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80835736
3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80841727
2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 167857097
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504
2-N-[(2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80772989

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80846480) is 2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(NCCc2cscn2)nc(-n2cncn2)n1.
What is the InChIKey of 2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OFXWUNATQPBHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N9S/c11-8-16-9(13-2-1-7-3-20-6-14-7)18-10(17-8)19-5-12-4-15-19/h3-6H,1-2H2,(H3,11,13,16,17,18).
What are the key properties of 2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 289.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80846480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).