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

C10H11BrN2O2S3 — CID 79939163

IUPAC5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2scnc2C)sc1Br
InChIInChI=1S/C10H11BrN2O2S3/c1-6-3-9(17-10(6)11)18(14,15)13-4-8-7(2)12-5-16-8/h3,5,13H,4H2,1-2H3
InChIKeyGTAPWUKHADITJW-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.06
Rot. Bonds4

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

5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide (PubChem CID 79939163) has the molecular formula C10H11BrN2O2S3 and a molecular weight of 367.32 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
PubChem CID79939163
Molecular FormulaC10H11BrN2O2S3
Molecular Weight367.32 g/mol
Exact Mass365.92
IUPAC Name5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2scnc2C)sc1Br
InChIInChI=1S/C10H11BrN2O2S3/c1-6-3-9(17-10(6)11)18(14,15)13-4-8-7(2)12-5-16-8/h3,5,13H,4H2,1-2H3
InChIKeyGTAPWUKHADITJW-UHFFFAOYSA-N
XLogP3.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 79987387
5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 79939263
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 113252435
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
CID 107232063
3-amino-4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63279899
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
2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 63283647
4-amino-2,6-difluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63280248
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63373679
4-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63283497
5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide
CID 114295146

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide (CID 79939163) is 5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCc2scnc2C)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is GTAPWUKHADITJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S3/c1-6-3-9(17-10(6)11)18(14,15)13-4-8-7(2)12-5-16-8/h3,5,13H,4H2,1-2H3.
What are the key properties of 5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide?
5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 367.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 79939163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).