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

C12H14N2O2S2 — CID 5310004

IUPACN-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C12H14N2O2S2/c1-2-18(15,16)13-8-11-9-17-12(14-11)10-6-4-3-5-7-10/h3-7,9,13H,2,8H2,1H3
InChIKeyZDZKDSZDNZZJBP-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.25
Rot. Bonds5

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

N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide (PubChem CID 5310004) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
PubChem CID5310004
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC NameN-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C12H14N2O2S2/c1-2-18(15,16)13-8-11-9-17-12(14-11)10-6-4-3-5-7-10/h3-7,9,13H,2,8H2,1H3
InChIKeyZDZKDSZDNZZJBP-UHFFFAOYSA-N
XLogP2.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide (CID 5310004) is N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The InChIKey is ZDZKDSZDNZZJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-2-18(15,16)13-8-11-9-17-12(14-11)10-6-4-3-5-7-10/h3-7,9,13H,2,8H2,1H3.
What are the key properties of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 5310004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).