N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide

C12H9ClN4OS — CID 110858809

IUPACN-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
SMILESCc1nc2scnn2c1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H9ClN4OS/c1-7-10(17-12(15-7)19-6-14-17)11(18)16-9-5-3-2-4-8(9)13/h2-6H,1H3,(H,16,18)
InChIKeyLODWTUJNKXPZOF-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.00
Rot. Bonds2

About N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide

N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide (PubChem CID 110858809) has the molecular formula C12H9ClN4OS and a molecular weight of 292.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
PubChem CID110858809
Molecular FormulaC12H9ClN4OS
Molecular Weight292.75 g/mol
Exact Mass292.02
IUPAC NameN-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
SMILESCc1nc2scnn2c1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H9ClN4OS/c1-7-10(17-12(15-7)19-6-14-17)11(18)16-9-5-3-2-4-8(9)13/h2-6H,1H3,(H,16,18)
InChIKeyLODWTUJNKXPZOF-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

N-[(2-chlorophenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110851429
N-(2,5-dimethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110857331
6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110850928
4-amino-N-(2-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66119861
N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4140143
4-amino-N-(2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123274
ethyl 6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate
CID 13426068
N-(2-chlorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62241147
N-(2-chlorophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224329
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-(2-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271748
6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride
CID 130631470

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide (CID 110858809) is N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide is Cc1nc2scnn2c1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The InChIKey is LODWTUJNKXPZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4OS/c1-7-10(17-12(15-7)19-6-14-17)11(18)16-9-5-3-2-4-8(9)13/h2-6H,1H3,(H,16,18).
What are the key properties of N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide 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 N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide is sourced from PubChem (CID 110858809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).