5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C12H20ClF3N4S — CID 120902344

IUPAC5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1(C)CN(CC(F)(F)F)CCN1Cc1cnc(N)s1.Cl
InChIInChI=1S/C12H19F3N4S.ClH/c1-11(2)7-18(8-12(13,14)15)3-4-19(11)6-9-5-17-10(16)20-9;/h5H,3-4,6-8H2,1-2H3,(H2,16,17);1H
InChIKeyTWHPZIVIEWXRJD-UHFFFAOYSA-N
MW344.83 g/mol
LogP2.61
Rot. Bonds3

About 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120902344) has the molecular formula C12H20ClF3N4S and a molecular weight of 344.83 g/mol. Its IUPAC name is 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120902344
Molecular FormulaC12H20ClF3N4S
Molecular Weight344.83 g/mol
Exact Mass344.10
IUPAC Name5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1(C)CN(CC(F)(F)F)CCN1Cc1cnc(N)s1.Cl
InChIInChI=1S/C12H19F3N4S.ClH/c1-11(2)7-18(8-12(13,14)15)3-4-19(11)6-9-5-17-10(16)20-9;/h5H,3-4,6-8H2,1-2H3,(H2,16,17);1H
InChIKeyTWHPZIVIEWXRJD-UHFFFAOYSA-N
XLogP2.61
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120902344) is 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is CC1(C)CN(CC(F)(F)F)CCN1Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is TWHPZIVIEWXRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4S.ClH/c1-11(2)7-18(8-12(13,14)15)3-4-19(11)6-9-5-17-10(16)20-9;/h5H,3-4,6-8H2,1-2H3,(H2,16,17);1H.
What are the key properties of 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 344.83 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120902344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).