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

C14H17F3N4S — CID 124616403

IUPAC2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cs1
InChIInChI=1S/C14H17F3N4S/c1-10-18-11(9-22-10)7-20-5-2-3-12(8-20)21-6-4-13(19-21)14(15,16)17/h4,6,9,12H,2-3,5,7-8H2,1H3/t12-/m1/s1
InChIKeyQMWVFNCLACMEHT-GFCCVEGCSA-N
MW330.38 g/mol
LogP3.50
Rot. Bonds3

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

2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 124616403) has the molecular formula C14H17F3N4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID124616403
Molecular FormulaC14H17F3N4S
Molecular Weight330.38 g/mol
Exact Mass330.11
IUPAC Name2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cs1
InChIInChI=1S/C14H17F3N4S/c1-10-18-11(9-22-10)7-20-5-2-3-12(8-20)21-6-4-13(19-21)14(15,16)17/h4,6,9,12H,2-3,5,7-8H2,1H3/t12-/m1/s1
InChIKeyQMWVFNCLACMEHT-GFCCVEGCSA-N
XLogP3.50
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124616399
N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine
CID 124625051
(3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 124721687
N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838934
4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 124626355
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
3-[[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]benzoic acid
CID 122032737
N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide
CID 122138763
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 128976100
2-methyl-4-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 70716382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 124616403) is 2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cs1.
What is the InChIKey of 2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is QMWVFNCLACMEHT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17F3N4S/c1-10-18-11(9-22-10)7-20-5-2-3-12(8-20)21-6-4-13(19-21)14(15,16)17/h4,6,9,12H,2-3,5,7-8H2,1H3/t12-/m1/s1.
What are the key properties of 2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 330.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 124616403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).