N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C10H15F3N2S — CID 114368436

IUPACN-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(C(F)(F)F)nc1CC(C)C
InChIInChI=1S/C10H15F3N2S/c1-6(2)4-7-8(5-14-3)16-9(15-7)10(11,12)13/h6,14H,4-5H2,1-3H3
InChIKeyBTUWSVAEMNVXGO-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.08
Rot. Bonds4

About N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114368436) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114368436
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC NameN-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(C(F)(F)F)nc1CC(C)C
InChIInChI=1S/C10H15F3N2S/c1-6(2)4-7-8(5-14-3)16-9(15-7)10(11,12)13/h6,14H,4-5H2,1-3H3
InChIKeyBTUWSVAEMNVXGO-UHFFFAOYSA-N
XLogP3.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine 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

2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369789
1-[2-tert-butyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368318
1-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82429503
1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368301
N-[[2-(3-methoxypentan-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368822
1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368265
N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368898
N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369727
1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368371
N-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103476500
1-[2-(2-bromo-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114887813
N-[[4-(2-methylpropyl)-2-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368491

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 114368436) is N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CNCc1sc(C(F)(F)F)nc1CC(C)C.
What is the InChIKey of N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is BTUWSVAEMNVXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-6(2)4-7-8(5-14-3)16-9(15-7)10(11,12)13/h6,14H,4-5H2,1-3H3.
What are the key properties of N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 252.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114368436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).