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

C14H15FN4O2S2 — CID 53151957

IUPAC2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nn2c(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)nc2s1
InChIInChI=1S/C14H15FN4O2S2/c1-4-12-17-19-13(9(3)16-14(19)22-12)23(20,21)18-10-6-5-8(2)11(15)7-10/h5-7,18H,4H2,1-3H3
InChIKeyUZRSEDHLPMVMKB-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.91
Rot. Bonds4

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

2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53151957) has the molecular formula C14H15FN4O2S2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53151957
Molecular FormulaC14H15FN4O2S2
Molecular Weight354.43 g/mol
Exact Mass354.06
IUPAC Name2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nn2c(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)nc2s1
InChIInChI=1S/C14H15FN4O2S2/c1-4-12-17-19-13(9(3)16-14(19)22-12)23(20,21)18-10-6-5-8(2)11(15)7-10/h5-7,18H,4H2,1-3H3
InChIKeyUZRSEDHLPMVMKB-UHFFFAOYSA-N
XLogP2.91
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151991
N-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151960
N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151931
N-[(3,5-difluorophenyl)methyl]-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151972
N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152039
N-(4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151763
N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151853
6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152086
2-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946589
5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026479
6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152056
N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107429534

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53151957) is 2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCc1nn2c(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)nc2s1.
What is the InChIKey of 2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is UZRSEDHLPMVMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S2/c1-4-12-17-19-13(9(3)16-14(19)22-12)23(20,21)18-10-6-5-8(2)11(15)7-10/h5-7,18H,4H2,1-3H3.
What are the key properties of 2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 354.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53151957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).