5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine

C16H18N4S — CID 139729469

IUPAC5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine
SMILESCc1cc(C)c(Nc2nc(C)cc3c(N)nsc23)c(C)c1
InChIInChI=1S/C16H18N4S/c1-8-5-9(2)13(10(3)6-8)19-16-14-12(7-11(4)18-16)15(17)20-21-14/h5-7H,1-4H3,(H2,17,20)(H,18,19)
InChIKeyZLJJWACUFAJAKJ-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.25
Rot. Bonds2

About 5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine

5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine (PubChem CID 139729469) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine.

Molecular Properties

Compound Name5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine
PubChem CID139729469
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine
SMILESCc1cc(C)c(Nc2nc(C)cc3c(N)nsc23)c(C)c1
InChIInChI=1S/C16H18N4S/c1-8-5-9(2)13(10(3)6-8)19-16-14-12(7-11(4)18-16)15(17)20-21-14/h5-7H,1-4H3,(H2,17,20)(H,18,19)
InChIKeyZLJJWACUFAJAKJ-UHFFFAOYSA-N
XLogP4.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine?
The IUPAC name of 5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine (CID 139729469) is 5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine.
What is the SMILES notation for 5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine?
The canonical SMILES for 5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine is Cc1cc(C)c(Nc2nc(C)cc3c(N)nsc23)c(C)c1.
What is the InChIKey of 5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine?
The InChIKey is ZLJJWACUFAJAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-8-5-9(2)13(10(3)6-8)19-16-14-12(7-11(4)18-16)15(17)20-21-14/h5-7H,1-4H3,(H2,17,20)(H,18,19).
What are the key properties of 5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine?
5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine has a molecular weight of 298.42 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine is sourced from PubChem (CID 139729469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).