N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine

C14H21F3N2S — CID 106784550

IUPACN-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H21F3N2S/c1-2-7-18-8-10-5-3-4-6-11(10)12-9-19-13(20-12)14(15,16)17/h9-11,18H,2-8H2,1H3
InChIKeyUBOHQTCBTWAWTF-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.44
Rot. Bonds5

About N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine

N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine (PubChem CID 106784550) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine
PubChem CID106784550
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC NameN-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H21F3N2S/c1-2-7-18-8-10-5-3-4-6-11(10)12-9-19-13(20-12)14(15,16)17/h9-11,18H,2-8H2,1H3
InChIKeyUBOHQTCBTWAWTF-UHFFFAOYSA-N
XLogP4.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-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

N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine
CID 106784544
N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine
CID 81027905
1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine
CID 106784571
N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
CID 81026587
N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine
CID 113447373
N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine
CID 115375664
N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
CID 113433966
2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol
CID 106784212
N-[[2-(4-chloro-2-fluorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027639
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid
CID 106784494

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine (CID 106784550) is N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine is CCCNCC1CCCCC1c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is UBOHQTCBTWAWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-2-7-18-8-10-5-3-4-6-11(10)12-9-19-13(20-12)14(15,16)17/h9-11,18H,2-8H2,1H3.
What are the key properties of N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine?
N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 306.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 106784550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).