4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide

C12H9ClN4OS — CID 108763069

IUPAC4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
SMILESCc1csc2nc(NC(=O)c3ccc(Cl)cc3)nn12
InChIInChI=1S/C12H9ClN4OS/c1-7-6-19-12-15-11(16-17(7)12)14-10(18)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,14,16,18)
InChIKeyMOJMKAKJVLPAFM-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.00
Rot. Bonds2

About 4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide

4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide (PubChem CID 108763069) has the molecular formula C12H9ClN4OS and a molecular weight of 292.75 g/mol. Its IUPAC name is 4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
PubChem CID108763069
Molecular FormulaC12H9ClN4OS
Molecular Weight292.75 g/mol
Exact Mass292.02
IUPAC Name4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
SMILESCc1csc2nc(NC(=O)c3ccc(Cl)cc3)nn12
InChIInChI=1S/C12H9ClN4OS/c1-7-6-19-12-15-11(16-17(7)12)14-10(18)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,14,16,18)
InChIKeyMOJMKAKJVLPAFM-UHFFFAOYSA-N
XLogP3.00
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108740491
4-hexoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108763111
2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 108763120
7-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799595
4-tert-butyl-N-[2-[[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-oxoethyl]benzamide
CID 108752352
1-(4-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108800132
N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-propan-2-ylbenzamide
CID 108728014
2,2,2-trifluoro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108763051
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728483
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4,5-triethoxybenzamide
CID 108752346
[4-[[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]phenyl] acetate
CID 108728567
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide
CID 108764838

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide (CID 108763069) is 4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide is Cc1csc2nc(NC(=O)c3ccc(Cl)cc3)nn12.
What is the InChIKey of 4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?
The InChIKey is MOJMKAKJVLPAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4OS/c1-7-6-19-12-15-11(16-17(7)12)14-10(18)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,14,16,18).
What are the key properties of 4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?
4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide has a molecular weight of 292.75 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide is sourced from PubChem (CID 108763069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).