N-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide

C14H14N4OS — CID 110857845

IUPACN-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2c(C)nc3scnn23)cc1
InChIInChI=1S/C14H14N4OS/c1-3-10-4-6-11(7-5-10)17-13(19)12-9(2)16-14-18(12)15-8-20-14/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyZSZCWCFODIGJHU-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.91
Rot. Bonds3

About N-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide

N-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide (PubChem CID 110857845) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
PubChem CID110857845
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2c(C)nc3scnn23)cc1
InChIInChI=1S/C14H14N4OS/c1-3-10-4-6-11(7-5-10)17-13(19)12-9(2)16-14-18(12)15-8-20-14/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyZSZCWCFODIGJHU-UHFFFAOYSA-N
XLogP2.91
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
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4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 71938362
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
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CID 19281528
N-(4-ethylphenyl)benzamide
CID 774063
N-(4-ethylphenyl)thiadiazole-4-carboxamide
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N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
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N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
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CID 110387274

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide (CID 110857845) is N-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide is CCc1ccc(NC(=O)c2c(C)nc3scnn23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The InChIKey is ZSZCWCFODIGJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-3-10-4-6-11(7-5-10)17-13(19)12-9(2)16-14-18(12)15-8-20-14/h4-8H,3H2,1-2H3,(H,17,19).
What are the key properties of N-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
N-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide is sourced from PubChem (CID 110857845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).