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

C11H12N8S — CID 80846392

IUPAC6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCc2cscn2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H12N8S/c12-9-16-10(14-2-1-8-5-20-7-15-8)18-11(17-9)19-4-3-13-6-19/h3-7H,1-2H2,(H3,12,14,16,17,18)
InChIKeyYUPDAOFCGJPXGJ-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.75
Rot. Bonds5

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

6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80846392) has the molecular formula C11H12N8S and a molecular weight of 288.34 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80846392
Molecular FormulaC11H12N8S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCc2cscn2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H12N8S/c12-9-16-10(14-2-1-8-5-20-7-15-8)18-11(17-9)19-4-3-13-6-19/h3-7H,1-2H2,(H3,12,14,16,17,18)
InChIKeyYUPDAOFCGJPXGJ-UHFFFAOYSA-N
XLogP0.75
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

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
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756
2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770284
6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80776963
N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787090
methyl 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80798771
6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813959
2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80818639
6-imidazol-1-yl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773392
6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80791101
6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80774693
2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773000

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 80846392) is 6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is Nc1nc(NCCc2cscn2)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YUPDAOFCGJPXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8S/c12-9-16-10(14-2-1-8-5-20-7-15-8)18-11(17-9)19-4-3-13-6-19/h3-7H,1-2H2,(H3,12,14,16,17,18).
What are the key properties of 6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 288.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80846392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).