N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine

C17H24N2S — CID 62799687

IUPACN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine
SMILESCNC(Cc1ccc(C(C)C)cc1)Cc1csc(C)n1
InChIInChI=1S/C17H24N2S/c1-12(2)15-7-5-14(6-8-15)9-16(18-4)10-17-11-20-13(3)19-17/h5-8,11-12,16,18H,9-10H2,1-4H3
InChIKeyRJTFXWVCSXETGI-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.95
Rot. Bonds6

About N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine

N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine (PubChem CID 62799687) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine
PubChem CID62799687
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine
SMILESCNC(Cc1ccc(C(C)C)cc1)Cc1csc(C)n1
InChIInChI=1S/C17H24N2S/c1-12(2)15-7-5-14(6-8-15)9-16(18-4)10-17-11-20-13(3)19-17/h5-8,11-12,16,18H,9-10H2,1-4H3
InChIKeyRJTFXWVCSXETGI-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799514
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-naphthalen-2-ylpropan-2-amine
CID 105159050
1-(3-bromophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798989
N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 113472332
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642975
2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole
CID 95318879
1-(4-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66071610
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine
CID 62799510
1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798644
1-(2,4-difluorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799683
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 105373853

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine (CID 62799687) is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine is CNC(Cc1ccc(C(C)C)cc1)Cc1csc(C)n1.
What is the InChIKey of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine?
The InChIKey is RJTFXWVCSXETGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12(2)15-7-5-14(6-8-15)9-16(18-4)10-17-11-20-13(3)19-17/h5-8,11-12,16,18H,9-10H2,1-4H3.
What are the key properties of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine?
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 62799687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).