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

C14H16ClF3N4S — CID 120846478

IUPAC5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1ncc(CN2CCNCC2c2cccnc2)s1
InChIInChI=1S/C14H15F3N4S.ClH/c15-14(16,17)13-20-7-11(22-13)9-21-5-4-19-8-12(21)10-2-1-3-18-6-10;/h1-3,6-7,12,19H,4-5,8-9H2;1H
InChIKeySHOUPBDQZRZJRW-UHFFFAOYSA-N
MW364.82 g/mol
LogP3.13
Rot. Bonds3

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

5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride (PubChem CID 120846478) has the molecular formula C14H16ClF3N4S and a molecular weight of 364.82 g/mol. Its IUPAC name is 5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
PubChem CID120846478
Molecular FormulaC14H16ClF3N4S
Molecular Weight364.82 g/mol
Exact Mass364.07
IUPAC Name5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1ncc(CN2CCNCC2c2cccnc2)s1
InChIInChI=1S/C14H15F3N4S.ClH/c15-14(16,17)13-20-7-11(22-13)9-21-5-4-19-8-12(21)10-2-1-3-18-6-10;/h1-3,6-7,12,19H,4-5,8-9H2;1H
InChIKeySHOUPBDQZRZJRW-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 5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride (CID 120846478) is 5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride is Cl.FC(F)(F)c1ncc(CN2CCNCC2c2cccnc2)s1.
What is the InChIKey of 5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The InChIKey is SHOUPBDQZRZJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4S.ClH/c15-14(16,17)13-20-7-11(22-13)9-21-5-4-19-8-12(21)10-2-1-3-18-6-10;/h1-3,6-7,12,19H,4-5,8-9H2;1H.
What are the key properties of 5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-2-(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 5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120846478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).