2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide

C14H12ClFN4OS — CID 110867136

IUPAC2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
SMILESCc1nn2cc(CCNC(=O)c3c(F)cccc3Cl)nc2s1
InChIInChI=1S/C14H12ClFN4OS/c1-8-19-20-7-9(18-14(20)22-8)5-6-17-13(21)12-10(15)3-2-4-11(12)16/h2-4,7H,5-6H2,1H3,(H,17,21)
InChIKeyHFUPAXBQJMGKSJ-UHFFFAOYSA-N
MW338.80 g/mol
LogP2.86
Rot. Bonds4

About 2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide (PubChem CID 110867136) has the molecular formula C14H12ClFN4OS and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
PubChem CID110867136
Molecular FormulaC14H12ClFN4OS
Molecular Weight338.80 g/mol
Exact Mass338.04
IUPAC Name2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
SMILESCc1nn2cc(CCNC(=O)c3c(F)cccc3Cl)nc2s1
InChIInChI=1S/C14H12ClFN4OS/c1-8-19-20-7-9(18-14(20)22-8)5-6-17-13(21)12-10(15)3-2-4-11(12)16/h2-4,7H,5-6H2,1H3,(H,17,21)
InChIKeyHFUPAXBQJMGKSJ-UHFFFAOYSA-N
XLogP2.86
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
CID 16020751
2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 5310568
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
N-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-4-fluorobenzamide
CID 53163290
N-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-3,4-difluorobenzamide
CID 53163294
N~1~-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-difluorobenzamide
CID 53163295
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluoro-4-methylbenzamide
CID 53163299
N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluorobenzamide
CID 53163322
N-({2-Ethyl-6-methylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-3-fluorobenzamide
CID 53163325
N-({2-Ethyl-6-methylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-3,4-difluorobenzamide
CID 53163326
N-({2-Ethyl-6-methylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-3,5-difluorobenzamide
CID 53163327

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide (CID 110867136) is 2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide is Cc1nn2cc(CCNC(=O)c3c(F)cccc3Cl)nc2s1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
The InChIKey is HFUPAXBQJMGKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4OS/c1-8-19-20-7-9(18-14(20)22-8)5-6-17-13(21)12-10(15)3-2-4-11(12)16/h2-4,7H,5-6H2,1H3,(H,17,21).
What are the key properties of 2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide has a molecular weight of 338.80 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide is sourced from PubChem (CID 110867136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).