2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C15H15N5O2S — CID 155548946

IUPAC2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2cn(CC(=O)Nc3nc(C)cs3)nn2)cc1
InChIInChI=1S/C15H15N5O2S/c1-10-9-23-15(16-10)17-14(21)8-20-7-13(18-19-20)11-3-5-12(22-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,16,17,21)
InChIKeyDBOYFYCCDSHBED-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.36
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 155548946) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID155548946
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2cn(CC(=O)Nc3nc(C)cs3)nn2)cc1
InChIInChI=1S/C15H15N5O2S/c1-10-9-23-15(16-10)17-14(21)8-20-7-13(18-19-20)11-3-5-12(22-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,16,17,21)
InChIKeyDBOYFYCCDSHBED-UHFFFAOYSA-N
XLogP2.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 786894
methyl 4-[2-(1H-pyrazol-1-yl)-1,3-thiazol-4-yl]phenyl ether
CID 1481752
2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-pyridin-3-yl-amine
CID 714205
3-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2-thioxoimidazolidin-4-one
CID 898321
Acetic acid 4-[2-(pyridin-3-ylamino)-thiazol-4-yl]-phenyl ester
CID 972788
2-[[5-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2135781
2-(4-methoxyphenyl)-N-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 2161245
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2555090
4-(4-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14722781
2-{[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]thio}-N-1,3-thiazol-2-ylacetamide
CID 15945476
2-imidazol-1-yl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 45830746

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 155548946) is 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COc1ccc(-c2cn(CC(=O)Nc3nc(C)cs3)nn2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DBOYFYCCDSHBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-10-9-23-15(16-10)17-14(21)8-20-7-13(18-19-20)11-3-5-12(22-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,16,17,21).
What are the key properties of 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 329.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155548946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).