5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine

C20H17N5OS — CID 29089008

IUPAC5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCc3cnc(-c4ccccc4)s3)n2)cc1
InChIInChI=1S/C20H17N5OS/c1-26-16-9-7-14(8-10-16)18-13-23-25-20(24-18)22-12-17-11-21-19(27-17)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,22,24,25)
InChIKeyYVJHDABOMHXVQU-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.28
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine

5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine (PubChem CID 29089008) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine
PubChem CID29089008
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCc3cnc(-c4ccccc4)s3)n2)cc1
InChIInChI=1S/C20H17N5OS/c1-26-16-9-7-14(8-10-16)18-13-23-25-20(24-18)22-12-17-11-21-19(27-17)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,22,24,25)
InChIKeyYVJHDABOMHXVQU-UHFFFAOYSA-N
XLogP4.28
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
CID 42512816
N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 30869203
5-(4-butoxyphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 70901925
1-[2-(6-methoxynaphthalen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280182
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
CID 42289699
3-benzyl-5-(4-methoxyphenyl)-2-methylpyrazine
CID 70899886
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 166363647
5-(3-phenylmethoxyphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 91429348
N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 177379300
N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine
CID 25175386
copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 159377510

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine (CID 29089008) is 5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine is COc1ccc(-c2cnnc(NCc3cnc(-c4ccccc4)s3)n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is YVJHDABOMHXVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-26-16-9-7-14(8-10-16)18-13-23-25-20(24-18)22-12-17-11-21-19(27-17)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,22,24,25).
What are the key properties of 5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine?
5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 375.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 29089008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).