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

C16H19N3O2S2 — CID 3244766

IUPAC2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1C
InChIInChI=1S/C16H19N3O2S2/c1-10-5-12(3)15(6-11(10)2)23(20,21)17-7-14-8-19-13(4)9-22-16(19)18-14/h5-6,8-9,17H,7H2,1-4H3
InChIKeyJWVMMAKHNHOBOG-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.11
Rot. Bonds4

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

2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide (PubChem CID 3244766) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
PubChem CID3244766
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1C
InChIInChI=1S/C16H19N3O2S2/c1-10-5-12(3)15(6-11(10)2)23(20,21)17-7-14-8-19-13(4)9-22-16(19)18-14/h5-6,8-9,17H,7H2,1-4H3
InChIKeyJWVMMAKHNHOBOG-UHFFFAOYSA-N
XLogP3.11
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide (CID 3244766) is 2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
The InChIKey is JWVMMAKHNHOBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-10-5-12(3)15(6-11(10)2)23(20,21)17-7-14-8-19-13(4)9-22-16(19)18-14/h5-6,8-9,17H,7H2,1-4H3.
What are the key properties of 2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide?
2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide has a molecular weight of 349.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 3244766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).