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

C14H17N3O2S2 — CID 18562216

IUPACN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1
InChIInChI=1S/C14H17N3O2S2/c1-2-9-21(18,19)16-12-5-3-11(4-6-12)13-10-17-7-8-20-14(17)15-13/h3-6,10,16H,2,7-9H2,1H3
InChIKeyUOWLNNRAUGZNHC-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.81
Rot. Bonds5

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

N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide (PubChem CID 18562216) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide
PubChem CID18562216
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1
InChIInChI=1S/C14H17N3O2S2/c1-2-9-21(18,19)16-12-5-3-11(4-6-12)13-10-17-7-8-20-14(17)15-13/h3-6,10,16H,2,7-9H2,1H3
InChIKeyUOWLNNRAUGZNHC-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide (CID 18562216) is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide is CCCS(=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]propane-1-sulfonamide?
The InChIKey is UOWLNNRAUGZNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-2-9-21(18,19)16-12-5-3-11(4-6-12)13-10-17-7-8-20-14(17)15-13/h3-6,10,16H,2,7-9H2,1H3.
What are the key properties of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide?
N-[4-(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-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 18562216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).