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

C19H16N4O3S2 — CID 121149492

IUPAC1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1ccccc1-c1cn2c(n1)SCC2
InChIInChI=1S/C19H16N4O3S2/c24-28(25,12-17-14-6-2-4-8-18(14)26-21-17)22-15-7-3-1-5-13(15)16-11-23-9-10-27-19(23)20-16/h1-8,11,22H,9-10,12H2
InChIKeyDJKGYYQDAQCBIG-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.74
Rot. Bonds5

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

1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide (PubChem CID 121149492) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide
PubChem CID121149492
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1ccccc1-c1cn2c(n1)SCC2
InChIInChI=1S/C19H16N4O3S2/c24-28(25,12-17-14-6-2-4-8-18(14)26-21-17)22-15-7-3-1-5-13(15)16-11-23-9-10-27-19(23)20-16/h1-8,11,22H,9-10,12H2
InChIKeyDJKGYYQDAQCBIG-UHFFFAOYSA-N
XLogP3.74
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide (CID 121149492) is 1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)Nc1ccccc1-c1cn2c(n1)SCC2.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide?
The InChIKey is DJKGYYQDAQCBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c24-28(25,12-17-14-6-2-4-8-18(14)26-21-17)22-15-7-3-1-5-13(15)16-11-23-9-10-27-19(23)20-16/h1-8,11,22H,9-10,12H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide has a molecular weight of 412.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 121149492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).