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

C14H17N3O2S2 — CID 7151317

IUPACN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2cn3c(n2)SCC3)c1
InChIInChI=1S/C14H17N3O2S2/c1-2-8-21(18,19)16-12-5-3-4-11(9-12)13-10-17-6-7-20-14(17)15-13/h3-5,9-10,16H,2,6-8H2,1H3
InChIKeyKHQQDNIJMDNTQL-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.81
Rot. Bonds5

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

N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide (PubChem CID 7151317) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide
PubChem CID7151317
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2cn3c(n2)SCC3)c1
InChIInChI=1S/C14H17N3O2S2/c1-2-8-21(18,19)16-12-5-3-4-11(9-12)13-10-17-6-7-20-14(17)15-13/h3-5,9-10,16H,2,6-8H2,1H3
InChIKeyKHQQDNIJMDNTQL-UHFFFAOYSA-N
XLogP2.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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][1,3]thiazol-6-yl)phenyl]acetamide
CID 2813255
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
2-[3-(1-Methyl-1H-imidazole-2-sulfonyl)-propylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 15040032
4-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile
CID 2815205
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzenesulfonamide
CID 983284
2-[1-Butyl-5-(4-fluoro-phenyl)-1H-imidazol-2-ylsulfanyl]-N-[4-(pyrrolidine-1-sulfonyl)-phenyl]-acetamide
CID 3212441

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide (CID 7151317) is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(-c2cn3c(n2)SCC3)c1.
What is the InChIKey of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide?
The InChIKey is KHQQDNIJMDNTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-2-8-21(18,19)16-12-5-3-4-11(9-12)13-10-17-6-7-20-14(17)15-13/h3-5,9-10,16H,2,6-8H2,1H3.
What are the key properties of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide?
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 7151317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).