[6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone

C20H20N6OS — CID 88979951

IUPAC[6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnc3ccc(-c4ccc5nc(N)sc5c4)cn23)CC1
InChIInChI=1S/C20H20N6OS/c1-24-6-8-25(9-7-24)19(27)16-11-22-18-5-3-14(12-26(16)18)13-2-4-15-17(10-13)28-20(21)23-15/h2-5,10-12H,6-9H2,1H3,(H2,21,23)
InChIKeyOPEHIOMYDWHKJS-UHFFFAOYSA-N
MW392.49 g/mol
LogP2.58
Rot. Bonds2

About [6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone

[6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 88979951) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID88979951
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name[6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnc3ccc(-c4ccc5nc(N)sc5c4)cn23)CC1
InChIInChI=1S/C20H20N6OS/c1-24-6-8-25(9-7-24)19(27)16-11-22-18-5-3-14(12-26(16)18)13-2-4-15-17(10-13)28-20(21)23-15/h2-5,10-12H,6-9H2,1H3,(H2,21,23)
InChIKeyOPEHIOMYDWHKJS-UHFFFAOYSA-N
XLogP2.58
TPSA79.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 88979951) is [6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cnc3ccc(-c4ccc5nc(N)sc5c4)cn23)CC1.
What is the InChIKey of [6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is OPEHIOMYDWHKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-24-6-8-25(9-7-24)19(27)16-11-22-18-5-3-14(12-26(16)18)13-2-4-15-17(10-13)28-20(21)23-15/h2-5,10-12H,6-9H2,1H3,(H2,21,23).
What are the key properties of [6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?
[6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 392.49 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 88979951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).