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

C14H18N2OS — CID 114783127

IUPACN-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine
SMILESCc1csc(OCCCNCc2ccccc2)n1
InChIInChI=1S/C14H18N2OS/c1-12-11-18-14(16-12)17-9-5-8-15-10-13-6-3-2-4-7-13/h2-4,6-7,11,15H,5,8-10H2,1H3
InChIKeyRVFQDHMWVCJMIG-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.01
Rot. Bonds7

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

N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine (PubChem CID 114783127) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine
PubChem CID114783127
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine
SMILESCc1csc(OCCCNCc2ccccc2)n1
InChIInChI=1S/C14H18N2OS/c1-12-11-18-14(16-12)17-9-5-8-15-10-13-6-3-2-4-7-13/h2-4,6-7,11,15H,5,8-10H2,1H3
InChIKeyRVFQDHMWVCJMIG-UHFFFAOYSA-N
XLogP3.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.01
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-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 114783183
N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine
CID 114783181
N-benzyl-3-(1,3,4-thiadiazol-2-yloxy)propan-1-amine
CID 114783212
N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine
CID 114783134
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine
CID 114783211
N-benzyl-3-[(5-nitro-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 102771888
N-benzyl-3-(5-iodopyrimidin-2-yl)oxypropan-1-amine
CID 114783146
N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine
CID 114783188
N-benzyl-3-(5-bromo-4-methoxypyrimidin-2-yl)oxypropan-1-amine
CID 106999618
N'-benzyl-N-(3-methoxypropyl)ethane-1,2-diamine;carbanide;methoxymethane;uranium(2+)
CID 169243785
N-benzyl-2-(2,3,6-trimethylphenoxy)ethanamine
CID 39368491

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine?
The IUPAC name of N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine (CID 114783127) is N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine.
What is the SMILES notation for N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine?
The canonical SMILES for N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine is Cc1csc(OCCCNCc2ccccc2)n1.
What is the InChIKey of N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine?
The InChIKey is RVFQDHMWVCJMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-12-11-18-14(16-12)17-9-5-8-15-10-13-6-3-2-4-7-13/h2-4,6-7,11,15H,5,8-10H2,1H3.
What are the key properties of N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine?
N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine is sourced from PubChem (CID 114783127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).