4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole

C11H18N4S — CID 66194828

IUPAC4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole
SMILESc1nc(CN2CC(N3CCNCC3)C2)cs1
InChIInChI=1S/C11H18N4S/c1-3-15(4-2-12-1)11-6-14(7-11)5-10-8-16-9-13-10/h8-9,11-12H,1-7H2
InChIKeyHJYVQTSKNHJFIQ-UHFFFAOYSA-N
MW238.36 g/mol
LogP0.23
Rot. Bonds3

About 4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole

4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole (PubChem CID 66194828) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole
PubChem CID66194828
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole
SMILESc1nc(CN2CC(N3CCNCC3)C2)cs1
InChIInChI=1S/C11H18N4S/c1-3-15(4-2-12-1)11-6-14(7-11)5-10-8-16-9-13-10/h8-9,11-12H,1-7H2
InChIKeyHJYVQTSKNHJFIQ-UHFFFAOYSA-N
XLogP0.23
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole (CID 66194828) is 4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole is c1nc(CN2CC(N3CCNCC3)C2)cs1.
What is the InChIKey of 4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is HJYVQTSKNHJFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-3-15(4-2-12-1)11-6-14(7-11)5-10-8-16-9-13-10/h8-9,11-12H,1-7H2.
What are the key properties of 4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole?
4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 238.36 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 66194828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).