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

C13H21F3N2S — CID 114369789

IUPAC2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)Cc1nc(C(F)(F)F)sc1CNC(C)(C)C
InChIInChI=1S/C13H21F3N2S/c1-8(2)6-9-10(7-17-12(3,4)5)19-11(18-9)13(14,15)16/h8,17H,6-7H2,1-5H3
InChIKeyNTGTYAIKGCFGTK-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.25
Rot. Bonds4

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

2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114369789) has the molecular formula C13H21F3N2S and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114369789
Molecular FormulaC13H21F3N2S
Molecular Weight294.39 g/mol
Exact Mass294.14
IUPAC Name2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)Cc1nc(C(F)(F)F)sc1CNC(C)(C)C
InChIInChI=1S/C13H21F3N2S/c1-8(2)6-9-10(7-17-12(3,4)5)19-11(18-9)13(14,15)16/h8,17H,6-7H2,1-5H3
InChIKeyNTGTYAIKGCFGTK-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 114368436
N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369727
1-[2-tert-butyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368318
N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369718
N-[[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369734
2-methyl-N-[[4-(2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369705
2-methyl-N-[[4-(2-methylpropyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369660
N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368898
N-[[4-ethyl-2-(2-methoxybutan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116778107
2-methyl-N-[[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369758
N-[[2-(2-methoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364619
2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369670

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114369789) is 2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)Cc1nc(C(F)(F)F)sc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is NTGTYAIKGCFGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2S/c1-8(2)6-9-10(7-17-12(3,4)5)19-11(18-9)13(14,15)16/h8,17H,6-7H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 294.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114369789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).