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

C14H15ClN4O3S2 — CID 53151960

IUPACN-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nn2c(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)c(C)nc2s1
InChIInChI=1S/C14H15ClN4O3S2/c1-4-12-17-19-13(8(2)16-14(19)23-12)24(20,21)18-9-5-6-11(22-3)10(15)7-9/h5-7,18H,4H2,1-3H3
InChIKeyXXCLQAGLSBUBHT-UHFFFAOYSA-N
MW386.89 g/mol
LogP3.12
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53151960) has the molecular formula C14H15ClN4O3S2 and a molecular weight of 386.89 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53151960
Molecular FormulaC14H15ClN4O3S2
Molecular Weight386.89 g/mol
Exact Mass386.03
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nn2c(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)c(C)nc2s1
InChIInChI=1S/C14H15ClN4O3S2/c1-4-12-17-19-13(8(2)16-14(19)23-12)24(20,21)18-9-5-6-11(22-3)10(15)7-9/h5-7,18H,4H2,1-3H3
InChIKeyXXCLQAGLSBUBHT-UHFFFAOYSA-N
XLogP3.12
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 53.12
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-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151931
N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152039
N-[(3,5-difluorophenyl)methyl]-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151972
3-[(3-chloro-4-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235749
methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974263
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-(3-chloro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 110865835
N-(3-chloro-4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583132
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53151960) is N-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCc1nn2c(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)c(C)nc2s1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is XXCLQAGLSBUBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3S2/c1-4-12-17-19-13(8(2)16-14(19)23-12)24(20,21)18-9-5-6-11(22-3)10(15)7-9/h5-7,18H,4H2,1-3H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 386.89 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53151960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).