[4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone

C11H18N4OS — CID 70212554

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone
SMILESO=C(C1NC=CS1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C11H18N4OS/c16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9/h1,6,9-10,12-13H,2-5,7-8H2
InChIKeyWZDYKPOTRZBPPF-UHFFFAOYSA-N
MW254.36 g/mol
LogP-0.76
Rot. Bonds2

About [4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone

[4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone (PubChem CID 70212554) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone
PubChem CID70212554
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone
SMILESO=C(C1NC=CS1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C11H18N4OS/c16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9/h1,6,9-10,12-13H,2-5,7-8H2
InChIKeyWZDYKPOTRZBPPF-UHFFFAOYSA-N
XLogP-0.76
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone (CID 70212554) is [4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone is O=C(C1NC=CS1)N1CCN(C2CNC2)CC1.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone?
The InChIKey is WZDYKPOTRZBPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9/h1,6,9-10,12-13H,2-5,7-8H2.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone?
[4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone has a molecular weight of 254.36 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-3-yl)piperazin-1-yl]-(2,3-dihydro-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 70212554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).