2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

C14H18N2O2S2 — CID 154739438

IUPAC2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cnc(C)s2)c(C)c1
InChIInChI=1S/C14H18N2O2S2/c1-9-5-10(2)14(11(3)6-9)20(17,18)16-8-13-7-15-12(4)19-13/h5-7,16H,8H2,1-4H3
InChIKeyODTYINVGCIGMEZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.86
Rot. Bonds4

About 2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 154739438) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID154739438
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cnc(C)s2)c(C)c1
InChIInChI=1S/C14H18N2O2S2/c1-9-5-10(2)14(11(3)6-9)20(17,18)16-8-13-7-15-12(4)19-13/h5-7,16H,8H2,1-4H3
InChIKeyODTYINVGCIGMEZ-UHFFFAOYSA-N
XLogP2.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,6-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61280403
N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 61384794
2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
CID 86839289
2-(ethylaminomethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
CID 102752676
4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839315
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 110446031
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692815
6-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64601679
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 79570103
2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839309
5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 106267722
4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839268

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 154739438) is 2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2cnc(C)s2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is ODTYINVGCIGMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-9-5-10(2)14(11(3)6-9)20(17,18)16-8-13-7-15-12(4)19-13/h5-7,16H,8H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 154739438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).