N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide

C12H13N3O2S2 — CID 2812636

IUPACN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1
InChIInChI=1S/C12H13N3O2S2/c1-19(16,17)14-10-4-2-9(3-5-10)11-8-15-6-7-18-12(15)13-11/h2-5,8,14H,6-7H2,1H3
InChIKeyXXJDEYAVXJQYCG-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.03
Rot. Bonds3

About N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide

N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide (PubChem CID 2812636) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide
PubChem CID2812636
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1
InChIInChI=1S/C12H13N3O2S2/c1-19(16,17)14-10-4-2-9(3-5-10)11-8-15-6-7-18-12(15)13-11/h2-5,8,14H,6-7H2,1H3
InChIKeyXXJDEYAVXJQYCG-UHFFFAOYSA-N
XLogP2.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
CID 5228
6-Phenyl-2,3-dihydroimidazo(2,1-b)thiazole
CID 432820
3-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 3312672
N-(4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl)acetamide
CID 2813255
7-Phenyl-6-p-tolyl-2,3-dihydro-imidazo[2,1-b]thiazol-7-ium
CID 16682235
N-(3-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl)propane-1-sulfonamide
CID 7151317
7-(4-fluorophenyl)-5-phenyl-3,7-dihydro-2H-imidazo[2,1-b]thiazol-4-ium bromide
CID 16194800
6,7-Diphenyl-2,3-dihydro-imidazo[2,1-b]thiazol-7-ium
CID 16682254
6-[3-(Dimethylsulfamoylamino)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 18562212
6-(4-Methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 333037
6-(4-Ethylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 668011
4-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile
CID 2815205

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide (CID 2812636) is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1.
What is the InChIKey of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide?
The InChIKey is XXJDEYAVXJQYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-19(16,17)14-10-4-2-9(3-5-10)11-8-15-6-7-18-12(15)13-11/h2-5,8,14H,6-7H2,1H3.
What are the key properties of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide?
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide has a molecular weight of 295.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 2812636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).