2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

C14H20F3N3S — CID 133396170

IUPAC2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCC1CCCN1C1CCN(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H20F3N3S/c1-10-3-2-6-20(10)11-4-7-19(8-5-11)13-18-12(9-21-13)14(15,16)17/h9-11H,2-8H2,1H3
InChIKeyPYAGNFUYSJISKM-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.62
Rot. Bonds2

About 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133396170) has the molecular formula C14H20F3N3S and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133396170
Molecular FormulaC14H20F3N3S
Molecular Weight319.40 g/mol
Exact Mass319.13
IUPAC Name2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCC1CCCN1C1CCN(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H20F3N3S/c1-10-3-2-6-20(10)11-4-7-19(8-5-11)13-18-12(9-21-13)14(15,16)17/h9-11H,2-8H2,1H3
InChIKeyPYAGNFUYSJISKM-UHFFFAOYSA-N
XLogP3.62
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 133365893
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 69066579
2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 166602194
4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol
CID 133446751
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide
CID 171327941
N-cyclopropyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 163348930
2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 82514946
6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 133383794
2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 171701843
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine
CID 133396303
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone
CID 172880827
N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide
CID 163351231

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 133396170) is 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is CC1CCCN1C1CCN(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is PYAGNFUYSJISKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3S/c1-10-3-2-6-20(10)11-4-7-19(8-5-11)13-18-12(9-21-13)14(15,16)17/h9-11H,2-8H2,1H3.
What are the key properties of 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 319.40 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133396170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).