N-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide

C14H14N4OS — CID 110851132

IUPACN-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
SMILESCc1nc2scnn2c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H14N4OS/c1-10-12(18-14(16-10)20-9-15-18)13(19)17(2)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeySETSLRZXGFDTKW-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.37
Rot. Bonds3

About N-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide

N-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide (PubChem CID 110851132) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
PubChem CID110851132
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
SMILESCc1nc2scnn2c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H14N4OS/c1-10-12(18-14(16-10)20-9-15-18)13(19)17(2)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeySETSLRZXGFDTKW-UHFFFAOYSA-N
XLogP2.37
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110850928
N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 29181988
2-[benzyl(methyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696567
N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
CID 110691862
N-benzyl-N,3-dimethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384800
N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103631
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
3-amino-N-benzyl-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 55114994
5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide
CID 68805700
N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110131635
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The IUPAC name of N-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide (CID 110851132) is N-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The canonical SMILES for N-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide is Cc1nc2scnn2c1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The InChIKey is SETSLRZXGFDTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-10-12(18-14(16-10)20-9-15-18)13(19)17(2)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3.
What are the key properties of N-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
N-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide is sourced from PubChem (CID 110851132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).