N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide

C13H16N2O2S2 — CID 3238598

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C13H16N2O2S2/c1-2-19(16,17)14-9-8-12-10-18-13(15-12)11-6-4-3-5-7-11/h3-7,10,14H,2,8-9H2,1H3
InChIKeyHRCNTNJTBZXKLI-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide (PubChem CID 3238598) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
PubChem CID3238598
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C13H16N2O2S2/c1-2-19(16,17)14-9-8-12-10-18-13(15-12)11-6-4-3-5-7-11/h3-7,10,14H,2,8-9H2,1H3
InChIKeyHRCNTNJTBZXKLI-UHFFFAOYSA-N
XLogP2.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
3-(2-Methyl-thiazol-4-yl)-phenylamine
CID 736535
4-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 73507388
2-Methyl-4-(4-aminophenyl)thiazole
CID 152684
2-(Tert-butylsulfonylmethyl)-4-(3-fluorophenyl)-1,3-thiazole
CID 2742537
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
4-methyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2812981
5-(Ethylsulfonyl)-2-phenyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine
CID 8034886
2-(4-Phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
1-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}azepane
CID 888109
4-Phenyl-2-thiazoleethanamine
CID 1497794

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide (CID 3238598) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The InChIKey is HRCNTNJTBZXKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-2-19(16,17)14-9-8-12-10-18-13(15-12)11-6-4-3-5-7-11/h3-7,10,14H,2,8-9H2,1H3.
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 3238598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).