4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C15H14N2O2S3 — CID 2812981

IUPAC4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C15H14N2O2S3/c1-11-4-6-13(7-5-11)22(18,19)16-9-12-10-21-15(17-12)14-3-2-8-20-14/h2-8,10,16H,9H2,1H3
InChIKeyMDBTVZZZZDKCBV-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.66
Rot. Bonds5

About 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 2812981) has the molecular formula C15H14N2O2S3 and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID2812981
Molecular FormulaC15H14N2O2S3
Molecular Weight350.49 g/mol
Exact Mass350.02
IUPAC Name4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C15H14N2O2S3/c1-11-4-6-13(7-5-11)22(18,19)16-9-12-10-21-15(17-12)14-3-2-8-20-14/h2-8,10,16H,9H2,1H3
InChIKeyMDBTVZZZZDKCBV-UHFFFAOYSA-N
XLogP3.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 73507388
N-(3-Methylbutyl)-4-(2-Methyl-1,3-Thiazol-4-Yl)benzenesulfonamide
CID 74766015
1-[3-(2-Methyl-thiazol-4-yl)-benzenesulfonyl]-piperidine
CID 943173
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-2-thiophenesulfonamide
CID 2738769
N,N-Diethyl-5-(2-methyl-4-thiazolyl)-2-thiophenesulfonamide
CID 2795581
1-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}azepane
CID 888109
5-Ethyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 10335742
5-Methyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 10424840
5-Methylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536889
5-Methylsulfanyl-4-(2-phenyl-thiazol-4-yl)-thiophene-2-carboxamidine
CID 18537077
1-[5-(benzenesulfonyl)-4-phenyl-1,3-thiazol-2-yl]-N-methylmethanamine
CID 57687718
N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 829863

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 2812981) is 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2csc(-c3cccs3)n2)cc1.
What is the InChIKey of 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is MDBTVZZZZDKCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S3/c1-11-4-6-13(7-5-11)22(18,19)16-9-12-10-21-15(17-12)14-3-2-8-20-14/h2-8,10,16H,9H2,1H3.
What are the key properties of 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 350.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2812981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).