(3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

C14H15F3N4OS — CID 124615168

IUPAC(3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCc1nscc1C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H15F3N4OS/c1-9-11(8-23-19-9)13(22)20-5-2-3-10(7-20)21-6-4-12(18-21)14(15,16)17/h4,6,8,10H,2-3,5,7H2,1H3/t10-/m0/s1
InChIKeyGOXYPMIGUPPBRG-JTQLQIEISA-N
MW344.36 g/mol
LogP3.14
Rot. Bonds2

About (3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

(3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 124615168) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID124615168
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name(3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCc1nscc1C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H15F3N4OS/c1-9-11(8-23-19-9)13(22)20-5-2-3-10(7-20)21-6-4-12(18-21)14(15,16)17/h4,6,8,10H,2-3,5,7H2,1H3/t10-/m0/s1
InChIKeyGOXYPMIGUPPBRG-JTQLQIEISA-N
XLogP3.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 124615168) is (3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is Cc1nscc1C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of (3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is GOXYPMIGUPPBRG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-9-11(8-23-19-9)13(22)20-5-2-3-10(7-20)21-6-4-12(18-21)14(15,16)17/h4,6,8,10H,2-3,5,7H2,1H3/t10-/m0/s1.
What are the key properties of (3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
(3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 344.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124615168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).