N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H20F3N3S — CID 115726889

IUPACN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cnc(C(C)NC2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C13H20F3N3S/c1-9-7-17-12(20-9)10(2)18-11-3-5-19(6-4-11)8-13(14,15)16/h7,10-11,18H,3-6,8H2,1-2H3
InChIKeyLMGAEFQTPOBEEC-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.13
Rot. Bonds4

About N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 115726889) has the molecular formula C13H20F3N3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID115726889
Molecular FormulaC13H20F3N3S
Molecular Weight307.38 g/mol
Exact Mass307.13
IUPAC NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cnc(C(C)NC2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C13H20F3N3S/c1-9-7-17-12(20-9)10(2)18-11-3-5-19(6-4-11)8-13(14,15)16/h7,10-11,18H,3-6,8H2,1-2H3
InChIKeyLMGAEFQTPOBEEC-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine
CID 52319808
4-(5-Methyl-1,3-thiazol-2-yl)piperidine
CID 62651152
1-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 43558941
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 75428426
1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 97232904
1-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 89734169
1-[2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 117721482
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 118297231
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 118297235
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 118297278
2-(4,4-Difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 118302995
2-(4,4-Difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 118302998

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 115726889) is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1cnc(C(C)NC2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is LMGAEFQTPOBEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S/c1-9-7-17-12(20-9)10(2)18-11-3-5-19(6-4-11)8-13(14,15)16/h7,10-11,18H,3-6,8H2,1-2H3.
What are the key properties of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[1-(5-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 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 115726889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).