N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide

C14H13N3O3S2 — CID 134027697

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCc2cn3ccsc3n2)c1
InChIInChI=1S/C14H13N3O3S2/c1-22(19,20)12-4-2-3-10(7-12)13(18)15-8-11-9-17-5-6-21-14(17)16-11/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyOEBWDKKPARAZTB-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.73
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide (PubChem CID 134027697) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide
PubChem CID134027697
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCc2cn3ccsc3n2)c1
InChIInChI=1S/C14H13N3O3S2/c1-22(19,20)12-4-2-3-10(7-12)13(18)15-8-11-9-17-5-6-21-14(17)16-11/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyOEBWDKKPARAZTB-UHFFFAOYSA-N
XLogP1.73
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 55531398
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 55561000
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
4-acetamido-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 134027726
1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 134027715
N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55560638
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 55585721
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 3887000
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide
CID 110357262
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 110661566
4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide
CID 52563386
4-tert-butyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-nitrobenzamide
CID 78858316

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide (CID 134027697) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NCc2cn3ccsc3n2)c1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide?
The InChIKey is OEBWDKKPARAZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S2/c1-22(19,20)12-4-2-3-10(7-12)13(18)15-8-11-9-17-5-6-21-14(17)16-11/h2-7,9H,8H2,1H3,(H,15,18).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide has a molecular weight of 335.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 134027697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).