2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide

C16H17ClN4OS — CID 53163353

IUPAC2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide
SMILESCCc1nn2c(CNC(=O)Cc3ccccc3Cl)c(C)nc2s1
InChIInChI=1S/C16H17ClN4OS/c1-3-15-20-21-13(10(2)19-16(21)23-15)9-18-14(22)8-11-6-4-5-7-12(11)17/h4-7H,3,8-9H2,1-2H3,(H,18,22)
InChIKeyZWMVKQDSVNMMMS-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.17
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide

2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide (PubChem CID 53163353) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide
PubChem CID53163353
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC Name2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide
SMILESCCc1nn2c(CNC(=O)Cc3ccccc3Cl)c(C)nc2s1
InChIInChI=1S/C16H17ClN4OS/c1-3-15-20-21-13(10(2)19-16(21)23-15)9-18-14(22)8-11-6-4-5-7-12(11)17/h4-7H,3,8-9H2,1-2H3,(H,18,22)
InChIKeyZWMVKQDSVNMMMS-UHFFFAOYSA-N
XLogP3.17
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide
CID 53163320
N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide
CID 53163339
2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
CID 53163060
N-[(2-chlorophenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110851429
[2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961578
N-[(2-chlorophenyl)methyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680031
N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696299
N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3390597
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide
CID 121137847
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide (CID 53163353) is 2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide is CCc1nn2c(CNC(=O)Cc3ccccc3Cl)c(C)nc2s1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide?
The InChIKey is ZWMVKQDSVNMMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4OS/c1-3-15-20-21-13(10(2)19-16(21)23-15)9-18-14(22)8-11-6-4-5-7-12(11)17/h4-7H,3,8-9H2,1-2H3,(H,18,22).
What are the key properties of 2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide?
2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide has a molecular weight of 348.86 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 53163353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).