N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C10H6ClN5O2S — CID 136832162

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H6ClN5O2S/c11-4-1-2-5-6(3-4)19-10(12-5)14-8(17)7-13-9(18)16-15-7/h1-3H,(H,12,14,17)(H2,13,15,16,18)
InChIKeyMUJDICHZTICFJF-UHFFFAOYSA-N
MW295.71 g/mol
LogP1.61
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136832162) has the molecular formula C10H6ClN5O2S and a molecular weight of 295.71 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136832162
Molecular FormulaC10H6ClN5O2S
Molecular Weight295.71 g/mol
Exact Mass294.99
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H6ClN5O2S/c11-4-1-2-5-6(3-4)19-10(12-5)14-8(17)7-13-9(18)16-15-7/h1-3H,(H,12,14,17)(H2,13,15,16,18)
InChIKeyMUJDICHZTICFJF-UHFFFAOYSA-N
XLogP1.61
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.71
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide 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

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 22576739
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108739115
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
CID 107020050
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 4099366
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692949

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136832162) is N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is MUJDICHZTICFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O2S/c11-4-1-2-5-6(3-4)19-10(12-5)14-8(17)7-13-9(18)16-15-7/h1-3H,(H,12,14,17)(H2,13,15,16,18).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 295.71 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136832162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).