2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide

C16H12N4OS — CID 2998007

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)Nc1cccc2cnccc12
InChIInChI=1S/C16H12N4OS/c21-15(8-12-10-20-6-7-22-16(20)18-12)19-14-3-1-2-11-9-17-5-4-13(11)14/h1-7,9-10H,8H2,(H,19,21)
InChIKeyYOJJBMVDKPHKOO-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.13
Rot. Bonds3

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide (PubChem CID 2998007) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide
PubChem CID2998007
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)Nc1cccc2cnccc12
InChIInChI=1S/C16H12N4OS/c21-15(8-12-10-20-6-7-22-16(20)18-12)19-14-3-1-2-11-9-17-5-4-13(11)14/h1-7,9-10H,8H2,(H,19,21)
InChIKeyYOJJBMVDKPHKOO-UHFFFAOYSA-N
XLogP3.13
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide (CID 2998007) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide is O=C(Cc1cn2ccsc2n1)Nc1cccc2cnccc12.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide?
The InChIKey is YOJJBMVDKPHKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c21-15(8-12-10-20-6-7-22-16(20)18-12)19-14-3-1-2-11-9-17-5-4-13(11)14/h1-7,9-10H,8H2,(H,19,21).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide has a molecular weight of 308.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-isoquinolin-5-ylacetamide is sourced from PubChem (CID 2998007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).