4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol

C13H15N3OS — CID 12952784

IUPAC4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C13H15N3OS/c17-12-3-1-11(2-4-12)15-6-8-16(9-7-15)13-14-5-10-18-13/h1-5,10,17H,6-9H2
InChIKeyVUSSBSXOEQMJGA-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.18
Rot. Bonds2

About 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol

4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol (PubChem CID 12952784) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol
PubChem CID12952784
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C13H15N3OS/c17-12-3-1-11(2-4-12)15-6-8-16(9-7-15)13-14-5-10-18-13/h1-5,10,17H,6-9H2
InChIKeyVUSSBSXOEQMJGA-UHFFFAOYSA-N
XLogP2.18
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol (CID 12952784) is 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol is Oc1ccc(N2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol?
The InChIKey is VUSSBSXOEQMJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-12-3-1-11(2-4-12)15-6-8-16(9-7-15)13-14-5-10-18-13/h1-5,10,17H,6-9H2.
What are the key properties of 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol?
4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol has a molecular weight of 261.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 12952784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).