2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide

C14H14N6O2S — CID 112525667

IUPAC2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
SMILESCC(=O)Nc1cn(CC(=O)Nc2ccc3sc(C)nc3c2)nn1
InChIInChI=1S/C14H14N6O2S/c1-8(21)15-13-6-20(19-18-13)7-14(22)17-10-3-4-12-11(5-10)16-9(2)23-12/h3-6H,7H2,1-2H3,(H,15,21)(H,17,22)
InChIKeyLOZYUIRXDLWVJL-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.79
Rot. Bonds4

About 2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide

2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide (PubChem CID 112525667) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
PubChem CID112525667
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
SMILESCC(=O)Nc1cn(CC(=O)Nc2ccc3sc(C)nc3c2)nn1
InChIInChI=1S/C14H14N6O2S/c1-8(21)15-13-6-20(19-18-13)7-14(22)17-10-3-4-12-11(5-10)16-9(2)23-12/h3-6H,7H2,1-2H3,(H,15,21)(H,17,22)
InChIKeyLOZYUIRXDLWVJL-UHFFFAOYSA-N
XLogP1.79
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)butanamide
CID 110442147
2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 112521508
N-[1-[2-(1,3-benzothiazol-6-ylamino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112525817
2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 112525936
N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050710
2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112525274
1-(2-methyl-1,3-benzothiazol-5-yl)-3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]urea
CID 72899521
N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112526094
1-(3,4-dihydroxyphenyl)-3-(2-methyl-1,3-benzothiazol-5-yl)urea
CID 142259708
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide?
The IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide (CID 112525667) is 2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide?
The canonical SMILES for 2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide is CC(=O)Nc1cn(CC(=O)Nc2ccc3sc(C)nc3c2)nn1.
What is the InChIKey of 2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide?
The InChIKey is LOZYUIRXDLWVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-8(21)15-13-6-20(19-18-13)7-14(22)17-10-3-4-12-11(5-10)16-9(2)23-12/h3-6H,7H2,1-2H3,(H,15,21)(H,17,22).
What are the key properties of 2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide?
2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide has a molecular weight of 330.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide is sourced from PubChem (CID 112525667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).