N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C15H18N4O3S2 — CID 53151894

IUPACN-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2c(C)nc3sc(C)nn23)cc1
InChIInChI=1S/C15H18N4O3S2/c1-4-22-13-7-5-12(6-8-13)9-16-24(20,21)14-10(2)17-15-19(14)18-11(3)23-15/h5-8,16H,4,9H2,1-3H3
InChIKeyPRGVZMDFBFCABO-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.28
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53151894) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53151894
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2c(C)nc3sc(C)nn23)cc1
InChIInChI=1S/C15H18N4O3S2/c1-4-22-13-7-5-12(6-8-13)9-16-24(20,21)14-10(2)17-15-19(14)18-11(3)23-15/h5-8,16H,4,9H2,1-3H3
InChIKeyPRGVZMDFBFCABO-UHFFFAOYSA-N
XLogP2.28
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-bromophenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151899
N-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151867
N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151931
N-(4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151763
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-methoxybenzenesulfonamide
CID 53163237
N-[(3,4-dimethylphenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152153
N-[(3,5-difluorophenyl)methyl]-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151972
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-propylbenzenesulfonamide
CID 53163253
5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780906
N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947504
4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide
CID 108782450
4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
CID 53163162

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53151894) is N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCOc1ccc(CNS(=O)(=O)c2c(C)nc3sc(C)nn23)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is PRGVZMDFBFCABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-4-22-13-7-5-12(6-8-13)9-16-24(20,21)14-10(2)17-15-19(14)18-11(3)23-15/h5-8,16H,4,9H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 366.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53151894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).