1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride

C13H21ClF3N3S — CID 120966121

IUPAC1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCc1nc(C(F)(F)F)c(CN2CCC(C(C)N)CC2)s1.Cl
InChIInChI=1S/C13H20F3N3S.ClH/c1-8(17)10-3-5-19(6-4-10)7-11-12(13(14,15)16)18-9(2)20-11;/h8,10H,3-7,17H2,1-2H3;1H
InChIKeyFLOSNMFBTWLALM-UHFFFAOYSA-N
MW343.85 g/mol
LogP3.45
Rot. Bonds3

About 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride

1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 120966121) has the molecular formula C13H21ClF3N3S and a molecular weight of 343.85 g/mol. Its IUPAC name is 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride
PubChem CID120966121
Molecular FormulaC13H21ClF3N3S
Molecular Weight343.85 g/mol
Exact Mass343.11
IUPAC Name1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCc1nc(C(F)(F)F)c(CN2CCC(C(C)N)CC2)s1.Cl
InChIInChI=1S/C13H20F3N3S.ClH/c1-8(17)10-3-5-19(6-4-10)7-11-12(13(14,15)16)18-9(2)20-11;/h8,10H,3-7,17H2,1-2H3;1H
InChIKeyFLOSNMFBTWLALM-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride (CID 120966121) is 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride is Cc1nc(C(F)(F)F)c(CN2CCC(C(C)N)CC2)s1.Cl.
What is the InChIKey of 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is FLOSNMFBTWLALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S.ClH/c1-8(17)10-3-5-19(6-4-10)7-11-12(13(14,15)16)18-9(2)20-11;/h8,10H,3-7,17H2,1-2H3;1H.
What are the key properties of 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride?
1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 343.85 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120966121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).