N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C16H13ClN6OS — CID 108772516

IUPACN-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCOc1ccccc1-c1csc2nc(Nc3cc(C)nc(Cl)n3)nn12
InChIInChI=1S/C16H13ClN6OS/c1-9-7-13(19-14(17)18-9)20-15-21-16-23(22-15)11(8-25-16)10-5-3-4-6-12(10)24-2/h3-8H,1-2H3,(H,18,19,20,22)
InChIKeyCRLXYYGFUXXAJI-UHFFFAOYSA-N
MW372.84 g/mol
LogP3.96
Rot. Bonds4

About N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 108772516) has the molecular formula C16H13ClN6OS and a molecular weight of 372.84 g/mol. Its IUPAC name is N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID108772516
Molecular FormulaC16H13ClN6OS
Molecular Weight372.84 g/mol
Exact Mass372.06
IUPAC NameN-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCOc1ccccc1-c1csc2nc(Nc3cc(C)nc(Cl)n3)nn12
InChIInChI=1S/C16H13ClN6OS/c1-9-7-13(19-14(17)18-9)20-15-21-16-23(22-15)11(8-25-16)10-5-3-4-6-12(10)24-2/h3-8H,1-2H3,(H,18,19,20,22)
InChIKeyCRLXYYGFUXXAJI-UHFFFAOYSA-N
XLogP3.96
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
6-(2-methoxyphenyl)-N-(3-methylquinoxalin-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772525
5-chloro-2-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780743
6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772517
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide
CID 108780733
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide
CID 108780749
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
2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108752643
4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide
CID 108728824
2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 55080697
4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108728841

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 108772516) is N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is COc1ccccc1-c1csc2nc(Nc3cc(C)nc(Cl)n3)nn12.
What is the InChIKey of N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is CRLXYYGFUXXAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6OS/c1-9-7-13(19-14(17)18-9)20-15-21-16-23(22-15)11(8-25-16)10-5-3-4-6-12(10)24-2/h3-8H,1-2H3,(H,18,19,20,22).
What are the key properties of N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 372.84 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 108772516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).