5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole

C15H18ClN3S — CID 1479744

IUPAC5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole
SMILESClc1ncc(CN2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C15H18ClN3S/c16-15-17-10-14(20-15)12-19-8-6-18(7-9-19)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2
InChIKeyRYTHCWZATUZYKK-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.11
Rot. Bonds4

About 5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole

5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole (PubChem CID 1479744) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole
PubChem CID1479744
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole
SMILESClc1ncc(CN2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C15H18ClN3S/c16-15-17-10-14(20-15)12-19-8-6-18(7-9-19)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2
InChIKeyRYTHCWZATUZYKK-UHFFFAOYSA-N
XLogP3.11
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole?
The IUPAC name of 5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole (CID 1479744) is 5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole.
What is the SMILES notation for 5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole?
The canonical SMILES for 5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole is Clc1ncc(CN2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of 5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole?
The InChIKey is RYTHCWZATUZYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c16-15-17-10-14(20-15)12-19-8-6-18(7-9-19)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2.
What are the key properties of 5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole?
5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole has a molecular weight of 307.85 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzylpiperazin-1-yl)methyl]-2-chloro-1,3-thiazole is sourced from PubChem (CID 1479744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).