[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

C13H20N4OS — CID 53014668

IUPAC[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCN1CCN(c2nc(C(=O)N3CCCC3)cs2)CC1
InChIInChI=1S/C13H20N4OS/c1-15-6-8-17(9-7-15)13-14-11(10-19-13)12(18)16-4-2-3-5-16/h10H,2-9H2,1H3
InChIKeyZTHKDMXYYHOQDD-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.13
Rot. Bonds2

About [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53014668) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID53014668
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCN1CCN(c2nc(C(=O)N3CCCC3)cs2)CC1
InChIInChI=1S/C13H20N4OS/c1-15-6-8-17(9-7-15)13-14-11(10-19-13)12(18)16-4-2-3-5-16/h10H,2-9H2,1H3
InChIKeyZTHKDMXYYHOQDD-UHFFFAOYSA-N
XLogP1.13
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (CID 53014668) is [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is CN1CCN(c2nc(C(=O)N3CCCC3)cs2)CC1.
What is the InChIKey of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZTHKDMXYYHOQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-15-6-8-17(9-7-15)13-14-11(10-19-13)12(18)16-4-2-3-5-16/h10H,2-9H2,1H3.
What are the key properties of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 280.40 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53014668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).