2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C14H16N4O2S3 — CID 53151991

IUPAC2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nn2c(S(=O)(=O)Nc3ccc(SC)cc3)c(C)nc2s1
InChIInChI=1S/C14H16N4O2S3/c1-4-12-16-18-13(9(2)15-14(18)22-12)23(19,20)17-10-5-7-11(21-3)8-6-10/h5-8,17H,4H2,1-3H3
InChIKeyDKWSANLANMKYMC-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.18
Rot. Bonds5

About 2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53151991) has the molecular formula C14H16N4O2S3 and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53151991
Molecular FormulaC14H16N4O2S3
Molecular Weight368.51 g/mol
Exact Mass368.04
IUPAC Name2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nn2c(S(=O)(=O)Nc3ccc(SC)cc3)c(C)nc2s1
InChIInChI=1S/C14H16N4O2S3/c1-4-12-16-18-13(9(2)15-14(18)22-12)23(19,20)17-10-5-7-11(21-3)8-6-10/h5-8,17H,4H2,1-3H3
InChIKeyDKWSANLANMKYMC-UHFFFAOYSA-N
XLogP3.18
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151931
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-[(3,5-difluorophenyl)methyl]-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151972
N-(4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151763
N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152039
N-(4-chlorophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152187
6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152086
6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152056
N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152177
methyl 4-[(6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylamino]benzoate
CID 53152182
N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151853

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of 2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53151991) is 2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCc1nn2c(S(=O)(=O)Nc3ccc(SC)cc3)c(C)nc2s1.
What is the InChIKey of 2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is DKWSANLANMKYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S3/c1-4-12-16-18-13(9(2)15-14(18)22-12)23(19,20)17-10-5-7-11(21-3)8-6-10/h5-8,17H,4H2,1-3H3.
What are the key properties of 2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 368.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53151991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).