N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide

C13H12N4OS — CID 110857587

IUPACN-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cn2ncsc2n1
InChIInChI=1S/C13H12N4OS/c1-8-4-3-5-9(2)11(8)16-12(18)10-6-17-13(15-10)19-7-14-17/h3-7H,1-2H3,(H,16,18)
InChIKeyAXWNEKPYTVMPMJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.66
Rot. Bonds2

About N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide

N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110857587) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110857587
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cn2ncsc2n1
InChIInChI=1S/C13H12N4OS/c1-8-4-3-5-9(2)11(8)16-12(18)10-6-17-13(15-10)19-7-14-17/h3-7H,1-2H3,(H,16,18)
InChIKeyAXWNEKPYTVMPMJ-UHFFFAOYSA-N
XLogP2.66
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110857588
N-(3,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110857504
N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110858903
N-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110858720
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422
N-(2,6-dimethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696181
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312
2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16914979
N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110865316
ethyl 4-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697663
N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262447
N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84576927

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (CID 110857587) is N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is Cc1cccc(C)c1NC(=O)c1cn2ncsc2n1.
What is the InChIKey of N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is AXWNEKPYTVMPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-4-3-5-9(2)11(8)16-12(18)10-6-17-13(15-10)19-7-14-17/h3-7H,1-2H3,(H,16,18).
What are the key properties of N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110857587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).