2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole

C15H19F3N4S — CID 124616399

IUPAC2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(C)c(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1
InChIInChI=1S/C15H19F3N4S/c1-10-13(23-11(2)19-10)9-21-6-3-4-12(8-21)22-7-5-14(20-22)15(16,17)18/h5,7,12H,3-4,6,8-9H2,1-2H3/t12-/m1/s1
InChIKeyAZLPBRGSSQTWQE-GFCCVEGCSA-N
MW344.41 g/mol
LogP3.81
Rot. Bonds3

About 2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole

2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 124616399) has the molecular formula C15H19F3N4S and a molecular weight of 344.41 g/mol. Its IUPAC name is 2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID124616399
Molecular FormulaC15H19F3N4S
Molecular Weight344.41 g/mol
Exact Mass344.13
IUPAC Name2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(C)c(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1
InChIInChI=1S/C15H19F3N4S/c1-10-13(23-11(2)19-10)9-21-6-3-4-12(8-21)22-7-5-14(20-22)15(16,17)18/h5,7,12H,3-4,6,8-9H2,1-2H3/t12-/m1/s1
InChIKeyAZLPBRGSSQTWQE-GFCCVEGCSA-N
XLogP3.81
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 124616399) is 2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1nc(C)c(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1.
What is the InChIKey of 2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is AZLPBRGSSQTWQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19F3N4S/c1-10-13(23-11(2)19-10)9-21-6-3-4-12(8-21)22-7-5-14(20-22)15(16,17)18/h5,7,12H,3-4,6,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of 2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole?
2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 344.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 124616399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).