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

C14H16ClN3S — CID 1489112

IUPAC2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESClc1ncc(CN2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C14H16ClN3S/c15-14-16-10-13(19-14)11-17-6-8-18(9-7-17)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2
InChIKeyCZPHEYMHFHOUKP-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.12
Rot. Bonds3

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

2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 1489112) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID1489112
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESClc1ncc(CN2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C14H16ClN3S/c15-14-16-10-13(19-14)11-17-6-8-18(9-7-17)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2
InChIKeyCZPHEYMHFHOUKP-UHFFFAOYSA-N
XLogP3.12
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole (CID 1489112) is 2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole is Clc1ncc(CN2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of 2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is CZPHEYMHFHOUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c15-14-16-10-13(19-14)11-17-6-8-18(9-7-17)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2.
What are the key properties of 2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 293.82 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 1489112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).