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

C14H15F3N4OS — CID 124615169

IUPAC(3-methyl-1,2-thiazol-4-yl)-[(3R)-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-/m1/s1
InChIKeyGOXYPMIGUPPBRG-SNVBAGLBSA-N
MW344.36 g/mol
LogP3.14
Rot. Bonds2

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

(3-methyl-1,2-thiazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 124615169) 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)-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID124615169
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name(3-methyl-1,2-thiazol-4-yl)-[(3R)-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-/m1/s1
InChIKeyGOXYPMIGUPPBRG-SNVBAGLBSA-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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Related Compounds

[3-Methyl-5-(methylamino)-1,2-thiazol-4-yl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53558761
[3-Methyl-5-(methylamino)-1,2-thiazol-4-yl]-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53576732
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1,2-thiazole-3-carboxamide
CID 132362352
N-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)-1,2-thiazole-4-carboxamide
CID 49869610
[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 86827972
N-cyclopentyl-4-methyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,2,3-thiadiazole-5-carboxamide
CID 121020211
(3-Methyl-1,2-thiazol-4-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 121531772
(3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 124615168
1,2-Thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 128560785
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide
CID 128971361
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 128972697
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 128974627

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-1,2-thiazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 124615169) is (3-methyl-1,2-thiazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1,2-thiazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-1,2-thiazol-4-yl)-[(3R)-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)-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is GOXYPMIGUPPBRG-SNVBAGLBSA-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-/m1/s1.
What are the key properties of (3-methyl-1,2-thiazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
(3-methyl-1,2-thiazol-4-yl)-[(3R)-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)-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124615169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).