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

C14H17N3OS — CID 47117818

IUPAC4-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3cscn3)CC2)cc1
InChIInChI=1S/C14H17N3OS/c18-14-3-1-13(2-4-14)17-7-5-16(6-8-17)9-12-10-19-11-15-12/h1-4,10-11,18H,5-9H2
InChIKeyZUVOYCCJJHOOFL-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.17
Rot. Bonds3

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

4-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenol (PubChem CID 47117818) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenol
PubChem CID47117818
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3cscn3)CC2)cc1
InChIInChI=1S/C14H17N3OS/c18-14-3-1-13(2-4-14)17-7-5-16(6-8-17)9-12-10-19-11-15-12/h1-4,10-11,18H,5-9H2
InChIKeyZUVOYCCJJHOOFL-UHFFFAOYSA-N
XLogP2.17
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.17
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-4-ylmethyl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenol (CID 47117818) is 4-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenol is Oc1ccc(N2CCN(Cc3cscn3)CC2)cc1.
What is the InChIKey of 4-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenol?
The InChIKey is ZUVOYCCJJHOOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-14-3-1-13(2-4-14)17-7-5-16(6-8-17)9-12-10-19-11-15-12/h1-4,10-11,18H,5-9H2.
What are the key properties of 4-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenol?
4-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenol has a molecular weight of 275.38 g/mol, XLogP of 2.17, 3 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-4-ylmethyl)piperazin-1-yl]phenol is sourced from PubChem (CID 47117818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).