N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide

C14H18N2O3S2 — CID 121122995

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCc1sc(C)nc1C
InChIInChI=1S/C14H18N2O3S2/c1-4-19-12-7-5-6-8-14(12)21(17,18)15-9-13-10(2)16-11(3)20-13/h5-8,15H,4,9H2,1-3H3
InChIKeyYEPCXWYFOPUTPK-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.64
Rot. Bonds6

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide (PubChem CID 121122995) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide
PubChem CID121122995
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCc1sc(C)nc1C
InChIInChI=1S/C14H18N2O3S2/c1-4-19-12-7-5-6-8-14(12)21(17,18)15-9-13-10(2)16-11(3)20-13/h5-8,15H,4,9H2,1-3H3
InChIKeyYEPCXWYFOPUTPK-UHFFFAOYSA-N
XLogP2.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide
CID 121122988
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide
CID 121122925
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide
CID 121122937
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide
CID 121122948
5-bromo-2-ethoxy-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122443
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide
CID 86817582
4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121123866
2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121937
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 115692578
3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide
CID 121123429
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 64539293
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
CID 121121722

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide (CID 121122995) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide is CCOc1ccccc1S(=O)(=O)NCc1sc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide?
The InChIKey is YEPCXWYFOPUTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-4-19-12-7-5-6-8-14(12)21(17,18)15-9-13-10(2)16-11(3)20-13/h5-8,15H,4,9H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 121122995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).