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

C17H24N2OS — CID 106815408

IUPACN-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCCOCCc1nc(CNC(C)C)c(-c2ccccc2)s1
InChIInChI=1S/C17H24N2OS/c1-4-20-11-10-16-19-15(12-18-13(2)3)17(21-16)14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3
InChIKeyXOOIDEHQCBBRJO-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.89
Rot. Bonds8

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

N-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 106815408) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID106815408
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCCOCCc1nc(CNC(C)C)c(-c2ccccc2)s1
InChIInChI=1S/C17H24N2OS/c1-4-20-11-10-16-19-15(12-18-13(2)3)17(21-16)14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3
InChIKeyXOOIDEHQCBBRJO-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 106815408) is N-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine is CCOCCc1nc(CNC(C)C)c(-c2ccccc2)s1.
What is the InChIKey of N-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is XOOIDEHQCBBRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-20-11-10-16-19-15(12-18-13(2)3)17(21-16)14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3.
What are the key properties of N-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106815408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).