N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide

C22H22N4OS — CID 53163373

IUPACN-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide
SMILESCCc1nn2c(CNC(=O)c3ccc(C)c(C)c3)c(-c3ccccc3)nc2s1
InChIInChI=1S/C22H22N4OS/c1-4-19-25-26-18(13-23-21(27)17-11-10-14(2)15(3)12-17)20(24-22(26)28-19)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3,(H,23,27)
InChIKeyWHCKENALEZEIQI-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.57
Rot. Bonds5

About N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide

N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide (PubChem CID 53163373) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide
PubChem CID53163373
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC NameN-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide
SMILESCCc1nn2c(CNC(=O)c3ccc(C)c(C)c3)c(-c3ccccc3)nc2s1
InChIInChI=1S/C22H22N4OS/c1-4-19-25-26-18(13-23-21(27)17-11-10-14(2)15(3)12-17)20(24-22(26)28-19)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3,(H,23,27)
InChIKeyWHCKENALEZEIQI-UHFFFAOYSA-N
XLogP4.57
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide (CID 53163373) is N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide is CCc1nn2c(CNC(=O)c3ccc(C)c(C)c3)c(-c3ccccc3)nc2s1.
What is the InChIKey of N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide?
The InChIKey is WHCKENALEZEIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-4-19-25-26-18(13-23-21(27)17-11-10-14(2)15(3)12-17)20(24-22(26)28-19)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3,(H,23,27).
What are the key properties of N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide?
N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide has a molecular weight of 390.51 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 53163373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).