2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole

C14H17N3OS — CID 2456357

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole
SMILESCOc1ccc(N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C14H17N3OS/c1-18-13-4-2-12(3-5-13)16-7-9-17(10-8-16)14-15-6-11-19-14/h2-6,11H,7-10H2,1H3
InChIKeyVICUOWZABAUJIF-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.48
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole

2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 2456357) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole
PubChem CID2456357
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole
SMILESCOc1ccc(N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C14H17N3OS/c1-18-13-4-2-12(3-5-13)16-7-9-17(10-8-16)14-15-6-11-19-14/h2-6,11H,7-10H2,1H3
InChIKeyVICUOWZABAUJIF-UHFFFAOYSA-N
XLogP2.48
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole (CID 2456357) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole is COc1ccc(N2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is VICUOWZABAUJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-18-13-4-2-12(3-5-13)16-7-9-17(10-8-16)14-15-6-11-19-14/h2-6,11H,7-10H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 275.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 2456357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).