1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride

C15H19ClF3N5OS — CID 66956424

IUPAC1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(N)cs2)CC1.Cl
InChIInChI=1S/C15H18F3N5OS.ClH/c1-9-6-11(15(16,17)18)21-23(9)7-13(24)22-4-2-10(3-5-22)14-20-12(19)8-25-14;/h6,8,10H,2-5,7,19H2,1H3;1H
InChIKeyXALJRMGYJRAJKQ-UHFFFAOYSA-N
MW409.87 g/mol
LogP3.08
Rot. Bonds3

About 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride

1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride (PubChem CID 66956424) has the molecular formula C15H19ClF3N5OS and a molecular weight of 409.87 g/mol. Its IUPAC name is 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride
PubChem CID66956424
Molecular FormulaC15H19ClF3N5OS
Molecular Weight409.87 g/mol
Exact Mass409.10
IUPAC Name1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(N)cs2)CC1.Cl
InChIInChI=1S/C15H18F3N5OS.ClH/c1-9-6-11(15(16,17)18)21-23(9)7-13(24)22-4-2-10(3-5-22)14-20-12(19)8-25-14;/h6,8,10H,2-5,7,19H2,1H3;1H
InChIKeyXALJRMGYJRAJKQ-UHFFFAOYSA-N
XLogP3.08
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride (CID 66956424) is 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(N)cs2)CC1.Cl.
What is the InChIKey of 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride?
The InChIKey is XALJRMGYJRAJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS.ClH/c1-9-6-11(15(16,17)18)21-23(9)7-13(24)22-4-2-10(3-5-22)14-20-12(19)8-25-14;/h6,8,10H,2-5,7,19H2,1H3;1H.
What are the key properties of 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride?
1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride has a molecular weight of 409.87 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 66956424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).