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

C11H17ClF3N3S — CID 120905232

IUPAC5-[[2-methyl-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1C(C(F)(F)F)CCCN1Cc1cnc(N)s1.Cl
InChIInChI=1S/C11H16F3N3S.ClH/c1-7-9(11(12,13)14)3-2-4-17(7)6-8-5-16-10(15)18-8;/h5,7,9H,2-4,6H2,1H3,(H2,15,16);1H
InChIKeyBYISMFAEGIEWCT-UHFFFAOYSA-N
MW315.79 g/mol
LogP3.31
Rot. Bonds2

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

5-[[2-methyl-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120905232) has the molecular formula C11H17ClF3N3S and a molecular weight of 315.79 g/mol. Its IUPAC name is 5-[[2-methyl-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[2-methyl-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120905232
Molecular FormulaC11H17ClF3N3S
Molecular Weight315.79 g/mol
Exact Mass315.08
IUPAC Name5-[[2-methyl-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1C(C(F)(F)F)CCCN1Cc1cnc(N)s1.Cl
InChIInChI=1S/C11H16F3N3S.ClH/c1-7-9(11(12,13)14)3-2-4-17(7)6-8-5-16-10(15)18-8;/h5,7,9H,2-4,6H2,1H3,(H2,15,16);1H
InChIKeyBYISMFAEGIEWCT-UHFFFAOYSA-N
XLogP3.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-methyl-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[2-methyl-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120905232) is 5-[[2-methyl-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[2-methyl-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[2-methyl-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is CC1C(C(F)(F)F)CCCN1Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[2-methyl-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is BYISMFAEGIEWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S.ClH/c1-7-9(11(12,13)14)3-2-4-17(7)6-8-5-16-10(15)18-8;/h5,7,9H,2-4,6H2,1H3,(H2,15,16);1H.
What are the key properties of 5-[[2-methyl-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[2-methyl-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 315.79 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methyl-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120905232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).