(4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone

C16H17N5OS — CID 134799089

IUPAC(4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
SMILESCN1CCN(C(=O)c2nc3sccn3c2-c2ccncc2)CC1
InChIInChI=1S/C16H17N5OS/c1-19-6-8-20(9-7-19)15(22)13-14(12-2-4-17-5-3-12)21-10-11-23-16(21)18-13/h2-5,10-11H,6-9H2,1H3
InChIKeyPWCLFNTZGUNKJL-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.85
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone

(4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone (PubChem CID 134799089) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
PubChem CID134799089
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name(4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
SMILESCN1CCN(C(=O)c2nc3sccn3c2-c2ccncc2)CC1
InChIInChI=1S/C16H17N5OS/c1-19-6-8-20(9-7-19)15(22)13-14(12-2-4-17-5-3-12)21-10-11-23-16(21)18-13/h2-5,10-11H,6-9H2,1H3
InChIKeyPWCLFNTZGUNKJL-UHFFFAOYSA-N
XLogP1.85
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone (CID 134799089) is (4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone is CN1CCN(C(=O)c2nc3sccn3c2-c2ccncc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The InChIKey is PWCLFNTZGUNKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-19-6-8-20(9-7-19)15(22)13-14(12-2-4-17-5-3-12)21-10-11-23-16(21)18-13/h2-5,10-11H,6-9H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
(4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone has a molecular weight of 327.41 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone is sourced from PubChem (CID 134799089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).