N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide

C13H13N5OS — CID 43989144

IUPACN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1ccc(C)c2sc(NC(=O)Cn3cncn3)nc12
InChIInChI=1S/C13H13N5OS/c1-8-3-4-9(2)12-11(8)17-13(20-12)16-10(19)5-18-7-14-6-15-18/h3-4,6-7H,5H2,1-2H3,(H,16,17,19)
InChIKeyUGFIEYPJSRNXSC-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.14
Rot. Bonds3

About N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43989144) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43989144
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC NameN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1ccc(C)c2sc(NC(=O)Cn3cncn3)nc12
InChIInChI=1S/C13H13N5OS/c1-8-3-4-9(2)12-11(8)17-13(20-12)16-10(19)5-18-7-14-6-15-18/h3-4,6-7H,5H2,1-2H3,(H,16,17,19)
InChIKeyUGFIEYPJSRNXSC-UHFFFAOYSA-N
XLogP2.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 43989193
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 43952342
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51088329
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 46813252
N-(4-bromo-3,5-dimethylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 106491136
(4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine
CID 2049854
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 30969513
5-[[2-(1,2,4-triazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474723
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139655
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 9185268
N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 115683262
(2S)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
CID 95293239

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide (CID 43989144) is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide is Cc1ccc(C)c2sc(NC(=O)Cn3cncn3)nc12.
What is the InChIKey of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is UGFIEYPJSRNXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-8-3-4-9(2)12-11(8)17-13(20-12)16-10(19)5-18-7-14-6-15-18/h3-4,6-7H,5H2,1-2H3,(H,16,17,19).
What are the key properties of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 287.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 43989144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).