N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C18H18N6S — CID 108776567

IUPACN-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCc1nc(C)c(Cc2ccccc2)c(Nc2nc3scc(C)n3n2)n1
InChIInChI=1S/C18H18N6S/c1-11-10-25-18-22-17(23-24(11)18)21-16-15(12(2)19-13(3)20-16)9-14-7-5-4-6-8-14/h4-8,10H,9H2,1-3H3,(H,19,20,21,23)
InChIKeyMLABIVOLWOZTGC-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.84
Rot. Bonds4

About N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 108776567) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound NameN-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID108776567
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC NameN-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCc1nc(C)c(Cc2ccccc2)c(Nc2nc3scc(C)n3n2)n1
InChIInChI=1S/C18H18N6S/c1-11-10-25-18-22-17(23-24(11)18)21-16-15(12(2)19-13(3)20-16)9-14-7-5-4-6-8-14/h4-8,10H,9H2,1-3H3,(H,19,20,21,23)
InChIKeyMLABIVOLWOZTGC-UHFFFAOYSA-N
XLogP3.84
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-benzyl-2,6-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 108775381
ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate
CID 108776559
5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 108773237
4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773997
5-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108778566
methyl 4-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-3-hydroxybenzoate
CID 108778120
N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777928
5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779811
5-[2-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-1,3,3-trimethylindol-2-one
CID 108773283
5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 108779908
1-benzyl-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108763157
ethyl 2-methyl-4-[(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]pyrimidine-5-carboxylate
CID 108772217

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 108776567) is N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is Cc1nc(C)c(Cc2ccccc2)c(Nc2nc3scc(C)n3n2)n1.
What is the InChIKey of N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is MLABIVOLWOZTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-11-10-25-18-22-17(23-24(11)18)21-16-15(12(2)19-13(3)20-16)9-14-7-5-4-6-8-14/h4-8,10H,9H2,1-3H3,(H,19,20,21,23).
What are the key properties of N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 350.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 108776567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).