5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride

C14H21ClF3N3S — CID 120835037

IUPAC5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1ncc(CN2CCC(C3CCCN3)CC2)s1
InChIInChI=1S/C14H20F3N3S.ClH/c15-14(16,17)13-19-8-11(21-13)9-20-6-3-10(4-7-20)12-2-1-5-18-12;/h8,10,12,18H,1-7,9H2;1H
InChIKeyRYWXABVVTFICOT-UHFFFAOYSA-N
MW355.86 g/mol
LogP3.55
Rot. Bonds3

About 5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride

5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride (PubChem CID 120835037) has the molecular formula C14H21ClF3N3S and a molecular weight of 355.86 g/mol. Its IUPAC name is 5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
PubChem CID120835037
Molecular FormulaC14H21ClF3N3S
Molecular Weight355.86 g/mol
Exact Mass355.11
IUPAC Name5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1ncc(CN2CCC(C3CCCN3)CC2)s1
InChIInChI=1S/C14H20F3N3S.ClH/c15-14(16,17)13-19-8-11(21-13)9-20-6-3-10(4-7-20)12-2-1-5-18-12;/h8,10,12,18H,1-7,9H2;1H
InChIKeyRYWXABVVTFICOT-UHFFFAOYSA-N
XLogP3.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.86
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride (CID 120835037) is 5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride is Cl.FC(F)(F)c1ncc(CN2CCC(C3CCCN3)CC2)s1.
What is the InChIKey of 5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The InChIKey is RYWXABVVTFICOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3S.ClH/c15-14(16,17)13-19-8-11(21-13)9-20-6-3-10(4-7-20)12-2-1-5-18-12;/h8,10,12,18H,1-7,9H2;1H.
What are the key properties of 5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride has a molecular weight of 355.86 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120835037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).