N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C12H18F3N3S — CID 133383273

IUPACN-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)N1CCC(Nc2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C12H18F3N3S/c1-8(2)18-5-3-9(4-6-18)16-11-17-10(7-19-11)12(13,14)15/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyBNYNBTMXWOAUQS-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.45
Rot. Bonds3

About N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 133383273) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID133383273
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)N1CCC(Nc2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C12H18F3N3S/c1-8(2)18-5-3-9(4-6-18)16-11-17-10(7-19-11)12(13,14)15/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyBNYNBTMXWOAUQS-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 133383273) is N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC(C)N1CCC(Nc2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is BNYNBTMXWOAUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-8(2)18-5-3-9(4-6-18)16-11-17-10(7-19-11)12(13,14)15/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 293.36 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 N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133383273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).