2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide

C15H14N4O3S3 — CID 108787666

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)CC3=CSC4=NCCN34)sc2c1
InChIInChI=1S/C15H14N4O3S3/c1-25(21,22)10-2-3-11-12(7-10)24-14(17-11)18-13(20)6-9-8-23-15-16-4-5-19(9)15/h2-3,7-8H,4-6H2,1H3,(H,17,18,20)
InChIKeyMELWHQWZDOVGQE-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.29
Rot. Bonds4

About 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 108787666) has the molecular formula C15H14N4O3S3 and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID108787666
Molecular FormulaC15H14N4O3S3
Molecular Weight394.50 g/mol
Exact Mass394.02
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)CC3=CSC4=NCCN34)sc2c1
InChIInChI=1S/C15H14N4O3S3/c1-25(21,22)10-2-3-11-12(7-10)24-14(17-11)18-13(20)6-9-8-23-15-16-4-5-19(9)15/h2-3,7-8H,4-6H2,1H3,(H,17,18,20)
InChIKeyMELWHQWZDOVGQE-UHFFFAOYSA-N
XLogP2.29
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide (CID 108787666) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide is CS(=O)(=O)c1ccc2nc(NC(=O)CC3=CSC4=NCCN34)sc2c1.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is MELWHQWZDOVGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S3/c1-25(21,22)10-2-3-11-12(7-10)24-14(17-11)18-13(20)6-9-8-23-15-16-4-5-19(9)15/h2-3,7-8H,4-6H2,1H3,(H,17,18,20).
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 394.50 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 108787666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).