N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide

C11H9N5O2S — CID 137196607

IUPACN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)c1ccc2scnc2c1
InChIInChI=1S/C11H9N5O2S/c17-10(12-4-9-14-11(18)16-15-9)6-1-2-8-7(3-6)13-5-19-8/h1-3,5H,4H2,(H,12,17)(H2,14,15,16,18)
InChIKeyAFLFZVDDIFDZPO-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.64
Rot. Bonds3

About N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide

N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide (PubChem CID 137196607) has the molecular formula C11H9N5O2S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide
PubChem CID137196607
Molecular FormulaC11H9N5O2S
Molecular Weight275.29 g/mol
Exact Mass275.05
IUPAC NameN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)c1ccc2scnc2c1
InChIInChI=1S/C11H9N5O2S/c17-10(12-4-9-14-11(18)16-15-9)6-1-2-8-7(3-6)13-5-19-8/h1-3,5H,4H2,(H,12,17)(H2,14,15,16,18)
InChIKeyAFLFZVDDIFDZPO-UHFFFAOYSA-N
XLogP0.64
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide with MolForge

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Related Compounds

3,5-dibromo-4-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 138044542
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 39834270
3-(3-tert-butylphenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 137092374
3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 139007780
1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone
CID 82492234
N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 60735987
N-[2-(3-methoxyphenyl)ethyl]-1,3-benzothiazole-5-carboxamide
CID 154802014
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide
CID 56743555
3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 137027875
4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 136993204

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide (CID 137196607) is N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide is O=C(NCc1n[nH]c(=O)[nH]1)c1ccc2scnc2c1.
What is the InChIKey of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide?
The InChIKey is AFLFZVDDIFDZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S/c17-10(12-4-9-14-11(18)16-15-9)6-1-2-8-7(3-6)13-5-19-8/h1-3,5H,4H2,(H,12,17)(H2,14,15,16,18).
What are the key properties of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide?
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide has a molecular weight of 275.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 137196607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).