5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine

C15H18N12S2 — CID 127032963

IUPAC5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1ncc(Cn2cc(CSc3nnc(-c4sc(N)nc4C)n3N)nn2)c(N)n1
InChIInChI=1S/C15H18N12S2/c1-7-11(29-14(17)20-7)13-23-24-15(27(13)18)28-6-10-5-26(25-22-10)4-9-3-19-8(2)21-12(9)16/h3,5H,4,6,18H2,1-2H3,(H2,17,20)(H2,16,19,21)
InChIKeyLTPHQSVHMHSSOL-UHFFFAOYSA-N
MW430.53 g/mol
LogP0.62
Rot. Bonds6

About 5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine

5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 127032963) has the molecular formula C15H18N12S2 and a molecular weight of 430.53 g/mol. Its IUPAC name is 5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID127032963
Molecular FormulaC15H18N12S2
Molecular Weight430.53 g/mol
Exact Mass430.12
IUPAC Name5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1ncc(Cn2cc(CSc3nnc(-c4sc(N)nc4C)n3N)nn2)c(N)n1
InChIInChI=1S/C15H18N12S2/c1-7-11(29-14(17)20-7)13-23-24-15(27(13)18)28-6-10-5-26(25-22-10)4-9-3-19-8(2)21-12(9)16/h3,5H,4,6,18H2,1-2H3,(H2,17,20)(H2,16,19,21)
InChIKeyLTPHQSVHMHSSOL-UHFFFAOYSA-N
XLogP0.62
TPSA178.15 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 53250649
5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 127032964
5-[4-Amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 127032965
5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 127032966
1-methyl-N~6~-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 134697310
4-[5-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole
CID 67256532
2-Ethyl-4-(pyrazolo[3,4-d]pyrimidin-1-ylmethyl)-1,3-thiazole
CID 69889293
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 30007459
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 47282291
N,1-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 47406313
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 47406352
1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 49430854

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine (CID 127032963) is 5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine is Cc1ncc(Cn2cc(CSc3nnc(-c4sc(N)nc4C)n3N)nn2)c(N)n1.
What is the InChIKey of 5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is LTPHQSVHMHSSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N12S2/c1-7-11(29-14(17)20-7)13-23-24-15(27(13)18)28-6-10-5-26(25-22-10)4-9-3-19-8(2)21-12(9)16/h3,5H,4,6,18H2,1-2H3,(H2,17,20)(H2,16,19,21).
What are the key properties of 5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 430.53 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 127032963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).