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

C14H12F2N4OS — CID 53163294

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-difluorobenzamide
SMILESCc1nn2c(CNC(=O)c3ccc(F)c(F)c3)c(C)nc2s1
InChIInChI=1S/C14H12F2N4OS/c1-7-12(20-14(18-7)22-8(2)19-20)6-17-13(21)9-3-4-10(15)11(16)5-9/h3-5H,6H2,1-2H3,(H,17,21)
InChIKeyQKIRFGVYLBFOOS-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.62
Rot. Bonds3

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

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-difluorobenzamide (PubChem CID 53163294) has the molecular formula C14H12F2N4OS and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-difluorobenzamide
PubChem CID53163294
Molecular FormulaC14H12F2N4OS
Molecular Weight322.34 g/mol
Exact Mass322.07
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-difluorobenzamide
SMILESCc1nn2c(CNC(=O)c3ccc(F)c(F)c3)c(C)nc2s1
InChIInChI=1S/C14H12F2N4OS/c1-7-12(20-14(18-7)22-8(2)19-20)6-17-13(21)9-3-4-10(15)11(16)5-9/h3-5H,6H2,1-2H3,(H,17,21)
InChIKeyQKIRFGVYLBFOOS-UHFFFAOYSA-N
XLogP2.62
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 70694911
N-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-4-(trifluoromethyl)benzamide
CID 53163057
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide
CID 171357815
3,4-Difluoro-N-{2-[6-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}benzamide
CID 7287057
2,6-Difluoro-N-{2-[2-(4-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}benzamide
CID 16032783
N-{2-[2-(4-Fluorophenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}-4-(trifluoromethyl)benzamide
CID 16032785
4-butyl-N-(2-(2-(4-fluorophenyl)-6-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl)benzamide
CID 18575081
N-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 53163001
N-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-3-(trifluoromethyl)benzamide
CID 53163033
N-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-2-(trifluoromethyl)benzamide
CID 53163054
N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
CID 53163084
N-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-4-fluorobenzamide
CID 53163290

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-difluorobenzamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-difluorobenzamide (CID 53163294) is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-difluorobenzamide is Cc1nn2c(CNC(=O)c3ccc(F)c(F)c3)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-difluorobenzamide?
The InChIKey is QKIRFGVYLBFOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4OS/c1-7-12(20-14(18-7)22-8(2)19-20)6-17-13(21)9-3-4-10(15)11(16)5-9/h3-5H,6H2,1-2H3,(H,17,21).
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-difluorobenzamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,4-difluorobenzamide has a molecular weight of 322.34 g/mol, XLogP of 2.62, 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]-3,4-difluorobenzamide is sourced from PubChem (CID 53163294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).