6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C21H24N8OS — CID 108772513

IUPAC6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCOc1ccccc1-c1csc2nc(Nc3cc(N4CCN(C)CC4)nc(C)n3)nn12
InChIInChI=1S/C21H24N8OS/c1-14-22-18(12-19(23-14)28-10-8-27(2)9-11-28)24-20-25-21-29(26-20)16(13-31-21)15-6-4-5-7-17(15)30-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,23,24,26)
InChIKeySQQIKPHPAMALOR-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.06
Rot. Bonds5

About 6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 108772513) has the molecular formula C21H24N8OS and a molecular weight of 436.55 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID108772513
Molecular FormulaC21H24N8OS
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC Name6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCOc1ccccc1-c1csc2nc(Nc3cc(N4CCN(C)CC4)nc(C)n3)nn12
InChIInChI=1S/C21H24N8OS/c1-14-22-18(12-19(23-14)28-10-8-27(2)9-11-28)24-20-25-21-29(26-20)16(13-31-21)15-6-4-5-7-17(15)30-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,23,24,26)
InChIKeySQQIKPHPAMALOR-UHFFFAOYSA-N
XLogP3.06
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(3-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772560
N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772516
6-(2-methoxyphenyl)-N-(3-methylquinoxalin-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772525
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide
CID 108780749
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide
CID 108780733
2-methyl-6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112870800
6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772517
4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780737
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-methylfuran-2-carboxamide
CID 108728826
4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108728841
5-chloro-2-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780743
N-(2-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874750

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 108772513) is 6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is COc1ccccc1-c1csc2nc(Nc3cc(N4CCN(C)CC4)nc(C)n3)nn12.
What is the InChIKey of 6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is SQQIKPHPAMALOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8OS/c1-14-22-18(12-19(23-14)28-10-8-27(2)9-11-28)24-20-25-21-29(26-20)16(13-31-21)15-6-4-5-7-17(15)30-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,23,24,26).
What are the key properties of 6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 436.55 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 108772513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).