N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

C17H13N5OS — CID 46508382

IUPACN-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H13N5OS/c23-16(21-17-20-14-3-1-2-4-15(14)24-17)13-7-5-12(6-8-13)9-22-11-18-10-19-22/h1-8,10-11H,9H2,(H,20,21,23)
InChIKeyKZEZKPODVIPIOO-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.19
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 46508382) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID46508382
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H13N5OS/c23-16(21-17-20-14-3-1-2-4-15(14)24-17)13-7-5-12(6-8-13)9-22-11-18-10-19-22/h1-8,10-11H,9H2,(H,20,21,23)
InChIKeyKZEZKPODVIPIOO-UHFFFAOYSA-N
XLogP3.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 30125170
N-(1,3-benzothiazol-2-yl)-4-(bromomethyl)benzamide
CID 102850815
N-(1,3-benzothiazol-2-yl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 164599622
4-[[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]methyl]-N-ethylpiperazine-1-carboxamide
CID 164599593
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide
CID 31533716
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 17491084
N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 35848386
4-[[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]methyl]-N-(4-ethylphenyl)-N-methylpiperazine-1-carboxamide
CID 170390817
6-(1,3-benzothiazol-2-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 78865336
N-(1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156362

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 46508382) is N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is O=C(Nc1nc2ccccc2s1)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is KZEZKPODVIPIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c23-16(21-17-20-14-3-1-2-4-15(14)24-17)13-7-5-12(6-8-13)9-22-11-18-10-19-22/h1-8,10-11H,9H2,(H,20,21,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 335.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 46508382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).