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

C14H17F3N4S — CID 124575843

IUPAC2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCn1ccnc1CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C14H17F3N4S/c1-20-6-4-18-12(20)8-21-5-2-3-10(7-21)13-19-11(9-22-13)14(15,16)17/h4,6,9-10H,2-3,5,7-8H2,1H3/t10-/m1/s1
InChIKeySAAGURNDKUYZNO-SNVBAGLBSA-N
MW330.38 g/mol
LogP3.28
Rot. Bonds3

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

2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 124575843) has the molecular formula C14H17F3N4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID124575843
Molecular FormulaC14H17F3N4S
Molecular Weight330.38 g/mol
Exact Mass330.11
IUPAC Name2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCn1ccnc1CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C14H17F3N4S/c1-20-6-4-18-12(20)8-21-5-2-3-10(7-21)13-19-11(9-22-13)14(15,16)17/h4,6,9-10H,2-3,5,7-8H2,1H3/t10-/m1/s1
InChIKeySAAGURNDKUYZNO-SNVBAGLBSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-1-(2,2-dimethoxyethyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 99715742
2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
CID 95816201
2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 120901354
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847439
4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 132765437
5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine
CID 110257106
N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 110257105
(3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 95539312
2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133387919
2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid
CID 83197847
N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 124997573
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 124575843) is 2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole is Cn1ccnc1CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SAAGURNDKUYZNO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17F3N4S/c1-20-6-4-18-12(20)8-21-5-2-3-10(7-21)13-19-11(9-22-13)14(15,16)17/h4,6,9-10H,2-3,5,7-8H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 330.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 124575843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).