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

C18H21N5O2S — CID 42415404

IUPAC5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCCc3nc(C)c(C)s3)n2)c(OC)c1
InChIInChI=1S/C18H21N5O2S/c1-11-12(2)26-17(21-11)7-8-19-18-22-15(10-20-23-18)14-6-5-13(24-3)9-16(14)25-4/h5-6,9-10H,7-8H2,1-4H3,(H,19,22,23)
InChIKeyFYLMXGWYADYTGZ-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.28
Rot. Bonds7

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

5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine (PubChem CID 42415404) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine
PubChem CID42415404
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCCc3nc(C)c(C)s3)n2)c(OC)c1
InChIInChI=1S/C18H21N5O2S/c1-11-12(2)26-17(21-11)7-8-19-18-22-15(10-20-23-18)14-6-5-13(24-3)9-16(14)25-4/h5-6,9-10H,7-8H2,1-4H3,(H,19,22,23)
InChIKeyFYLMXGWYADYTGZ-UHFFFAOYSA-N
XLogP3.28
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine with MolForge

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Related Compounds

5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine
CID 29150259
5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine
CID 25369060
5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine
CID 28955643
N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 90864949
5-N-(2,4-dimethoxyphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954514
1-(2,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019863
N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 30869203
5-(2,6-dimethylphenyl)-N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 68565478
3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954340
5-N-(2,4-dimethoxyphenyl)-3-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazine-3,5-diamine
CID 112958785
5-(2-chloro-4-piperazin-1-ylphenyl)-N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 44610188
5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine
CID 116823727

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine (CID 42415404) is 5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine is COc1ccc(-c2cnnc(NCCc3nc(C)c(C)s3)n2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is FYLMXGWYADYTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-11-12(2)26-17(21-11)7-8-19-18-22-15(10-20-23-18)14-6-5-13(24-3)9-16(14)25-4/h5-6,9-10H,7-8H2,1-4H3,(H,19,22,23).
What are the key properties of 5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine?
5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 371.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 42415404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).