(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

C10H13N7O2S — CID 27196190

IUPAC(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCNc1snc(C)c1C(=O)OCc1nc(N)nc(N)n1
InChIInChI=1S/C10H13N7O2S/c1-4-6(7(13-2)20-17-4)8(18)19-3-5-14-9(11)16-10(12)15-5/h13H,3H2,1-2H3,(H4,11,12,14,15,16)
InChIKeyHJAREDZCPUQTBJ-UHFFFAOYSA-N
MW295.33 g/mol
LogP0.20
Rot. Bonds4

About (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (PubChem CID 27196190) has the molecular formula C10H13N7O2S and a molecular weight of 295.33 g/mol. Its IUPAC name is (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
PubChem CID27196190
Molecular FormulaC10H13N7O2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCNc1snc(C)c1C(=O)OCc1nc(N)nc(N)n1
InChIInChI=1S/C10H13N7O2S/c1-4-6(7(13-2)20-17-4)8(18)19-3-5-14-9(11)16-10(12)15-5/h13H,3H2,1-2H3,(H4,11,12,14,15,16)
InChIKeyHJAREDZCPUQTBJ-UHFFFAOYSA-N
XLogP0.20
TPSA141.93 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

3,3-dimethylbutyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 113221509
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 104562922
cyanomethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27194611
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27195175
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27195959
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27195157
2-(4-cyanophenoxy)ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 24528018
[2-(4-fluorophenyl)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27450994
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27451351
[3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 71888022
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 55449861
N-(3-methoxypropyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 35071864

Frequently Asked Questions

What is the IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (CID 27196190) is (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is CNc1snc(C)c1C(=O)OCc1nc(N)nc(N)n1.
What is the InChIKey of (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is HJAREDZCPUQTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O2S/c1-4-6(7(13-2)20-17-4)8(18)19-3-5-14-9(11)16-10(12)15-5/h13H,3H2,1-2H3,(H4,11,12,14,15,16).
What are the key properties of (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 295.33 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 27196190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).