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

C16H18N4OS — CID 53163320

IUPACN-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide
SMILESCCc1nn2c(CNC(=O)c3cccc(C)c3)c(C)nc2s1
InChIInChI=1S/C16H18N4OS/c1-4-14-19-20-13(11(3)18-16(20)22-14)9-17-15(21)12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H,17,21)
InChIKeyDRNDJFMXTGVWBX-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.90
Rot. Bonds4

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

N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide (PubChem CID 53163320) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide
PubChem CID53163320
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide
SMILESCCc1nn2c(CNC(=O)c3cccc(C)c3)c(C)nc2s1
InChIInChI=1S/C16H18N4OS/c1-4-14-19-20-13(11(3)18-16(20)22-14)9-17-15(21)12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H,17,21)
InChIKeyDRNDJFMXTGVWBX-UHFFFAOYSA-N
XLogP2.90
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.90
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]-2,4-dimethylbenzamide
CID 53163339
3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
CID 53163297
N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide
CID 53163379
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488570
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 23530641
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 7552633
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
3-chloro-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110400922

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide?
The IUPAC name of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide (CID 53163320) is N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide.
What is the SMILES notation for N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide?
The canonical SMILES for N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide is CCc1nn2c(CNC(=O)c3cccc(C)c3)c(C)nc2s1.
What is the InChIKey of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide?
The InChIKey is DRNDJFMXTGVWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-4-14-19-20-13(11(3)18-16(20)22-14)9-17-15(21)12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H,17,21).
What are the key properties of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide?
N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide is sourced from PubChem (CID 53163320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).