N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide

C13H13N5OS — CID 43989193

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1cc(C)c2sc(NC(=O)Cn3cncn3)nc2c1
InChIInChI=1S/C13H13N5OS/c1-8-3-9(2)12-10(4-8)16-13(20-12)17-11(19)5-18-7-14-6-15-18/h3-4,6-7H,5H2,1-2H3,(H,16,17,19)
InChIKeyBCPCJXMUNRUIJH-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.14
Rot. Bonds3

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43989193) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43989193
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1cc(C)c2sc(NC(=O)Cn3cncn3)nc2c1
InChIInChI=1S/C13H13N5OS/c1-8-3-9(2)12-10(4-8)16-13(20-12)17-11(19)5-18-7-14-6-15-18/h3-4,6-7H,5H2,1-2H3,(H,16,17,19)
InChIKeyBCPCJXMUNRUIJH-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-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 43989144
2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 43989192
1-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082538
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 43988945
N-(4-bromo-3,5-dimethylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 106491136
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320662
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51088329
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7545480
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 43952342
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8719990
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 7192604

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide (CID 43989193) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide is Cc1cc(C)c2sc(NC(=O)Cn3cncn3)nc2c1.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is BCPCJXMUNRUIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-8-3-9(2)12-10(4-8)16-13(20-12)17-11(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-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(5,7-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-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 43989193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).