N-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine

C15H20N2OS — CID 64715400

IUPACN-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine
SMILESCCCOCc1nc(CNC)c(-c2ccccc2)s1
InChIInChI=1S/C15H20N2OS/c1-3-9-18-11-14-17-13(10-16-2)15(19-14)12-7-5-4-6-8-12/h4-8,16H,3,9-11H2,1-2H3
InChIKeyCROBDFDRYOETNY-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.46
Rot. Bonds7

About N-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine

N-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 64715400) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine
PubChem CID64715400
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine
SMILESCCCOCc1nc(CNC)c(-c2ccccc2)s1
InChIInChI=1S/C15H20N2OS/c1-3-9-18-11-14-17-13(10-16-2)15(19-14)12-7-5-4-6-8-12/h4-8,16H,3,9-11H2,1-2H3
InChIKeyCROBDFDRYOETNY-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.46
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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Related Compounds

N,N-diethyl-2-[4-(methylaminomethyl)-5-phenyl-1,3-thiazol-2-yl]ethanamine
CID 64716662
N-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 106815408
N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 62403199
N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
CID 64717715
1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
CID 64716452
1-[2-(furan-2-yl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
CID 64718148
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841261
N-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
CID 65138467
N-[[5-phenyl-2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 65128657
[2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 65093679
N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 64715193
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62543017

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine (CID 64715400) is N-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine is CCCOCc1nc(CNC)c(-c2ccccc2)s1.
What is the InChIKey of N-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is CROBDFDRYOETNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-9-18-11-14-17-13(10-16-2)15(19-14)12-7-5-4-6-8-12/h4-8,16H,3,9-11H2,1-2H3.
What are the key properties of N-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine?
N-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 276.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-phenyl-2-(propoxymethyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 64715400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).