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

C16H18N4OS — CID 53163306

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2c(C)nc3sc(C)nn23)c(C)c1
InChIInChI=1S/C16H18N4OS/c1-9-5-6-13(10(2)7-9)15(21)17-8-14-11(3)18-16-20(14)19-12(4)22-16/h5-7H,8H2,1-4H3,(H,17,21)
InChIKeyHJRRRXZBOGWKHV-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.95
Rot. Bonds3

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

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide (PubChem CID 53163306) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide
PubChem CID53163306
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2c(C)nc3sc(C)nn23)c(C)c1
InChIInChI=1S/C16H18N4OS/c1-9-5-6-13(10(2)7-9)15(21)17-8-14-11(3)18-16-20(14)19-12(4)22-16/h5-7H,8H2,1-4H3,(H,17,21)
InChIKeyHJRRRXZBOGWKHV-UHFFFAOYSA-N
XLogP2.95
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide (CID 53163306) is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2c(C)nc3sc(C)nn23)c(C)c1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide?
The InChIKey is HJRRRXZBOGWKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-9-5-6-13(10(2)7-9)15(21)17-8-14-11(3)18-16-20(14)19-12(4)22-16/h5-7H,8H2,1-4H3,(H,17,21).
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 53163306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).