5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine

C18H21N5O2S — CID 68564912

IUPAC5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine
SMILESCOc1cccc(OC)c1-c1cnnc(N(C)Cc2nc(C)c(C)s2)n1
InChIInChI=1S/C18H21N5O2S/c1-11-12(2)26-16(20-11)10-23(3)18-21-13(9-19-22-18)17-14(24-4)7-6-8-15(17)25-5/h6-9H,10H2,1-5H3
InChIKeyUOWAXXOKBAFNQY-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.27
Rot. Bonds6

About 5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine

5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine (PubChem CID 68564912) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine
PubChem CID68564912
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine
SMILESCOc1cccc(OC)c1-c1cnnc(N(C)Cc2nc(C)c(C)s2)n1
InChIInChI=1S/C18H21N5O2S/c1-11-12(2)26-16(20-11)10-23(3)18-21-13(9-19-22-18)17-14(24-4)7-6-8-15(17)25-5/h6-9H,10H2,1-5H3
InChIKeyUOWAXXOKBAFNQY-UHFFFAOYSA-N
XLogP3.27
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine (CID 68564912) is 5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine is COc1cccc(OC)c1-c1cnnc(N(C)Cc2nc(C)c(C)s2)n1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine?
The InChIKey is UOWAXXOKBAFNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-11-12(2)26-16(20-11)10-23(3)18-21-13(9-19-22-18)17-14(24-4)7-6-8-15(17)25-5/h6-9H,10H2,1-5H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine?
5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine has a molecular weight of 371.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 68564912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).