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

C15H22F3N3S — CID 120901354

IUPAC2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCC1(CN2CCCC(c3nc(C(F)(F)F)cs3)C2)CCNC1
InChIInChI=1S/C15H22F3N3S/c1-14(4-5-19-9-14)10-21-6-2-3-11(7-21)13-20-12(8-22-13)15(16,17)18/h8,11,19H,2-7,9-10H2,1H3
InChIKeyGBOUFJNMSRBUDJ-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.34
Rot. Bonds3

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

2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 120901354) has the molecular formula C15H22F3N3S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID120901354
Molecular FormulaC15H22F3N3S
Molecular Weight333.42 g/mol
Exact Mass333.15
IUPAC Name2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCC1(CN2CCCC(c3nc(C(F)(F)F)cs3)C2)CCNC1
InChIInChI=1S/C15H22F3N3S/c1-14(4-5-19-9-14)10-21-6-2-3-11(7-21)13-20-12(8-22-13)15(16,17)18/h8,11,19H,2-7,9-10H2,1H3
InChIKeyGBOUFJNMSRBUDJ-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 120901354) is 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole is CC1(CN2CCCC(c3nc(C(F)(F)F)cs3)C2)CCNC1.
What is the InChIKey of 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is GBOUFJNMSRBUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3S/c1-14(4-5-19-9-14)10-21-6-2-3-11(7-21)13-20-12(8-22-13)15(16,17)18/h8,11,19H,2-7,9-10H2,1H3.
What are the key properties of 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 333.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 120901354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).