2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride

C14H16ClF3N4S — CID 120846412

IUPAC2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1cnc(CN2CCNCC2c2cccnc2)s1
InChIInChI=1S/C14H15F3N4S.ClH/c15-14(16,17)12-8-20-13(22-12)9-21-5-4-19-7-11(21)10-2-1-3-18-6-10;/h1-3,6,8,11,19H,4-5,7,9H2;1H
InChIKeyFVUUZCPFCUHXFG-UHFFFAOYSA-N
MW364.82 g/mol
LogP3.13
Rot. Bonds3

About 2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride

2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride (PubChem CID 120846412) has the molecular formula C14H16ClF3N4S and a molecular weight of 364.82 g/mol. Its IUPAC name is 2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride
PubChem CID120846412
Molecular FormulaC14H16ClF3N4S
Molecular Weight364.82 g/mol
Exact Mass364.07
IUPAC Name2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1cnc(CN2CCNCC2c2cccnc2)s1
InChIInChI=1S/C14H15F3N4S.ClH/c15-14(16,17)12-8-20-13(22-12)9-21-5-4-19-7-11(21)10-2-1-3-18-6-10;/h1-3,6,8,11,19H,4-5,7,9H2;1H
InChIKeyFVUUZCPFCUHXFG-UHFFFAOYSA-N
XLogP3.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride (CID 120846412) is 2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride is Cl.FC(F)(F)c1cnc(CN2CCNCC2c2cccnc2)s1.
What is the InChIKey of 2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The InChIKey is FVUUZCPFCUHXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4S.ClH/c15-14(16,17)12-8-20-13(22-12)9-21-5-4-19-7-11(21)10-2-1-3-18-6-10;/h1-3,6,8,11,19H,4-5,7,9H2;1H.
What are the key properties of 2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride has a molecular weight of 364.82 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120846412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).