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

C14H23F3N2OS — CID 116730847

IUPACN-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOC(c1nc(C(F)(F)F)c(CNC(C)(C)C)s1)C(C)C
InChIInChI=1S/C14H23F3N2OS/c1-8(2)10(20-6)12-19-11(14(15,16)17)9(21-12)7-18-13(3,4)5/h8,10,18H,7H2,1-6H3
InChIKeyBZXXQRYZAWSLRE-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.39
Rot. Bonds5

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

N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 116730847) has the molecular formula C14H23F3N2OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID116730847
Molecular FormulaC14H23F3N2OS
Molecular Weight324.41 g/mol
Exact Mass324.15
IUPAC NameN-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOC(c1nc(C(F)(F)F)c(CNC(C)(C)C)s1)C(C)C
InChIInChI=1S/C14H23F3N2OS/c1-8(2)10(20-6)12-19-11(14(15,16)17)9(21-12)7-18-13(3,4)5/h8,10,18H,7H2,1-6H3
InChIKeyBZXXQRYZAWSLRE-UHFFFAOYSA-N
XLogP4.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-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-(1-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730581
N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116730815
N-[[2-(1-ethoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116730817
N-[[2-(1-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364548
N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730576
2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369789
N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369718
N-[[4-ethyl-2-(2-methoxybutan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116778107
N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116730822
N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366610
1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730788
2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116633333

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 116730847) is N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is COC(c1nc(C(F)(F)F)c(CNC(C)(C)C)s1)C(C)C.
What is the InChIKey of N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BZXXQRYZAWSLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2OS/c1-8(2)10(20-6)12-19-11(14(15,16)17)9(21-12)7-18-13(3,4)5/h8,10,18H,7H2,1-6H3.
What are the key properties of N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 324.41 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116730847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).