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

C17H24N2S — CID 63086416

IUPACN-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C(C)(C)c2ccccc2)nc1C
InChIInChI=1S/C17H24N2S/c1-5-11-18-12-15-13(2)19-16(20-15)17(3,4)14-9-7-6-8-10-14/h6-10,18H,5,11-12H2,1-4H3
InChIKeyNNGMRRDNIJLHJK-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.28
Rot. Bonds6

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

N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 63086416) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID63086416
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C(C)(C)c2ccccc2)nc1C
InChIInChI=1S/C17H24N2S/c1-5-11-18-12-15-13(2)19-16(20-15)17(3,4)14-9-7-6-8-10-14/h6-10,18H,5,11-12H2,1-4H3
InChIKeyNNGMRRDNIJLHJK-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 63086416) is N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(C(C)(C)c2ccccc2)nc1C.
What is the InChIKey of N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is NNGMRRDNIJLHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-11-18-12-15-13(2)19-16(20-15)17(3,4)14-9-7-6-8-10-14/h6-10,18H,5,11-12H2,1-4H3.
What are the key properties of N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 63086416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).