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

C15H18N4O3S2 — CID 53151931

IUPACN-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2c(C)nc3sc(CC)nn23)cc1
InChIInChI=1S/C15H18N4O3S2/c1-4-13-17-19-14(10(3)16-15(19)23-13)24(20,21)18-11-6-8-12(9-7-11)22-5-2/h6-9,18H,4-5H2,1-3H3
InChIKeyPAJPPPYDHZAFPW-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.86
Rot. Bonds6

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

N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53151931) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53151931
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC NameN-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2c(C)nc3sc(CC)nn23)cc1
InChIInChI=1S/C15H18N4O3S2/c1-4-13-17-19-14(10(3)16-15(19)23-13)24(20,21)18-11-6-8-12(9-7-11)22-5-2/h6-9,18H,4-5H2,1-3H3
InChIKeyPAJPPPYDHZAFPW-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151957
N-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151960
N-(4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151763
N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152177
N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151894
N-[(3,5-difluorophenyl)methyl]-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151972
N-[4-[(5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]methanesulfonamide
CID 20874427
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22774219
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138717

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53151931) is N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCOc1ccc(NS(=O)(=O)c2c(C)nc3sc(CC)nn23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is PAJPPPYDHZAFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-4-13-17-19-14(10(3)16-15(19)23-13)24(20,21)18-11-6-8-12(9-7-11)22-5-2/h6-9,18H,4-5H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 366.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53151931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).