N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide

C12H16N2O2S2 — CID 57069610

IUPACN-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCCC1CN=C(NS(=O)(=O)c2ccc(C)cc2)S1
InChIInChI=1S/C12H16N2O2S2/c1-3-10-8-13-12(17-10)14-18(15,16)11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3,(H,13,14)
InChIKeyCDODNMLORPOSTE-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.15
Rot. Bonds3

About N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide

N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide (PubChem CID 57069610) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
PubChem CID57069610
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC NameN-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCCC1CN=C(NS(=O)(=O)c2ccc(C)cc2)S1
InChIInChI=1S/C12H16N2O2S2/c1-3-10-8-13-12(17-10)14-18(15,16)11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3,(H,13,14)
InChIKeyCDODNMLORPOSTE-UHFFFAOYSA-N
XLogP2.15
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 89209993
CID 89209993
4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide
CID 132523995
4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 3899892
N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
CID 3450959
N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide
CID 134957986
N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide
CID 3354995
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide
CID 169372007
N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 11001969
N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113029747

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide (CID 57069610) is N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide is CCC1CN=C(NS(=O)(=O)c2ccc(C)cc2)S1.
What is the InChIKey of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is CDODNMLORPOSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-3-10-8-13-12(17-10)14-18(15,16)11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3,(H,13,14).
What are the key properties of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide?
N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 284.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 57069610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).