imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone

C15H17N5OS — CID 70754166

IUPACimidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1ccc(C2CCCCN2C(=O)c2cn3ccsc3n2)n1
InChIInChI=1S/C15H17N5OS/c1-18-7-5-11(17-18)13-4-2-3-6-20(13)14(21)12-10-19-8-9-22-15(19)16-12/h5,7-10,13H,2-4,6H2,1H3
InChIKeyADQDNGZBZJGMSX-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.50
Rot. Bonds2

About imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone

imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 70754166) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID70754166
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Nameimidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1ccc(C2CCCCN2C(=O)c2cn3ccsc3n2)n1
InChIInChI=1S/C15H17N5OS/c1-18-7-5-11(17-18)13-4-2-3-6-20(13)14(21)12-10-19-8-9-22-15(19)16-12/h5,7-10,13H,2-4,6H2,1H3
InChIKeyADQDNGZBZJGMSX-UHFFFAOYSA-N
XLogP2.50
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone (CID 70754166) is imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone is Cn1ccc(C2CCCCN2C(=O)c2cn3ccsc3n2)n1.
What is the InChIKey of imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is ADQDNGZBZJGMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-18-7-5-11(17-18)13-4-2-3-6-20(13)14(21)12-10-19-8-9-22-15(19)16-12/h5,7-10,13H,2-4,6H2,1H3.
What are the key properties of imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 315.40 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70754166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).