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

C13H12N4O3S — CID 110860636

IUPACN-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cn3ncsc3n2)c(OC)c1
InChIInChI=1S/C13H12N4O3S/c1-19-8-3-4-9(11(5-8)20-2)15-12(18)10-6-17-13(16-10)21-7-14-17/h3-7H,1-2H3,(H,15,18)
InChIKeyWEHCICOFZZZBFU-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.06
Rot. Bonds4

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

N-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110860636) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110860636
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cn3ncsc3n2)c(OC)c1
InChIInChI=1S/C13H12N4O3S/c1-19-8-3-4-9(11(5-8)20-2)15-12(18)10-6-17-13(16-10)21-7-14-17/h3-7H,1-2H3,(H,15,18)
InChIKeyWEHCICOFZZZBFU-UHFFFAOYSA-N
XLogP2.06
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110851657
3-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860597
N-(2,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172222
N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 110689577
3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807152
1-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)pyrazole-4-carboxamide
CID 46488849
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860596
2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 75488892
N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18104017
6-chloro-N-(2,5-dimethoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051171
N-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110858720

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (CID 110860636) is N-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is COc1ccc(NC(=O)c2cn3ncsc3n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is WEHCICOFZZZBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-19-8-3-4-9(11(5-8)20-2)15-12(18)10-6-17-13(16-10)21-7-14-17/h3-7H,1-2H3,(H,15,18).
What are the key properties of N-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
N-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110860636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).