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

C17H24N2S — CID 82433773

IUPACN-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1sc(Cc2ccccc2)nc1C(C)C
InChIInChI=1S/C17H24N2S/c1-4-10-18-12-15-17(13(2)3)19-16(20-15)11-14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3
InChIKeyZQAPNWLPXDLTIC-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.36
Rot. Bonds7

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

N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 82433773) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID82433773
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1sc(Cc2ccccc2)nc1C(C)C
InChIInChI=1S/C17H24N2S/c1-4-10-18-12-15-17(13(2)3)19-16(20-15)11-14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3
InChIKeyZQAPNWLPXDLTIC-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.36
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-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 82433773) is N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is CCCNCc1sc(Cc2ccccc2)nc1C(C)C.
What is the InChIKey of N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is ZQAPNWLPXDLTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-10-18-12-15-17(13(2)3)19-16(20-15)11-14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3.
What are the key properties of N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 82433773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).