N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H20F3N3S — CID 63238545

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1csc(CCNC2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C13H20F3N3S/c1-10-8-20-12(18-10)2-5-17-11-3-6-19(7-4-11)9-13(14,15)16/h8,11,17H,2-7,9H2,1H3
InChIKeyFHIMLELTOZVCMZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.61
Rot. Bonds5

About N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 63238545) has the molecular formula C13H20F3N3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID63238545
Molecular FormulaC13H20F3N3S
Molecular Weight307.38 g/mol
Exact Mass307.13
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1csc(CCNC2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C13H20F3N3S/c1-10-8-20-12(18-10)2-5-17-11-3-6-19(7-4-11)9-13(14,15)16/h8,11,17H,2-7,9H2,1H3
InChIKeyFHIMLELTOZVCMZ-UHFFFAOYSA-N
XLogP2.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 63238570
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63239020
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclohexan-1-ol
CID 106594624
N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63242491
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 104859672
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine
CID 63238611
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1,3-diamine
CID 80562480
3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64752621
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 63335162
N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43761376
N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 75428420
1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 54912882

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 63238545) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1csc(CCNC2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is FHIMLELTOZVCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S/c1-10-8-20-12(18-10)2-5-17-11-3-6-19(7-4-11)9-13(14,15)16/h8,11,17H,2-7,9H2,1H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 307.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 63238545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).