5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide

C11H13BrN2O2S3 — CID 113252435

IUPAC5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cc(C)c(Br)s2)s1
InChIInChI=1S/C11H13BrN2O2S3/c1-3-8-5-13-9(17-8)6-14-19(15,16)10-4-7(2)11(12)18-10/h4-5,14H,3,6H2,1-2H3
InChIKeyLTQCLGLQEIBQGV-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.32
Rot. Bonds5

About 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide (PubChem CID 113252435) has the molecular formula C11H13BrN2O2S3 and a molecular weight of 381.34 g/mol. Its IUPAC name is 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide
PubChem CID113252435
Molecular FormulaC11H13BrN2O2S3
Molecular Weight381.34 g/mol
Exact Mass379.93
IUPAC Name5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cc(C)c(Br)s2)s1
InChIInChI=1S/C11H13BrN2O2S3/c1-3-8-5-13-9(17-8)6-14-19(15,16)10-4-7(2)11(12)18-10/h4-5,14H,3,6H2,1-2H3
InChIKeyLTQCLGLQEIBQGV-UHFFFAOYSA-N
XLogP3.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid
CID 146092792
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 79987387
5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 79939163
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 103698184
5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 79939263
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 104868462
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
CID 107232063
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 79925416
5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide
CID 82944213
5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110421228

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide (CID 113252435) is 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide is CCc1cnc(CNS(=O)(=O)c2cc(C)c(Br)s2)s1.
What is the InChIKey of 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is LTQCLGLQEIBQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S3/c1-3-8-5-13-9(17-8)6-14-19(15,16)10-4-7(2)11(12)18-10/h4-5,14H,3,6H2,1-2H3.
What are the key properties of 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 381.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113252435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).