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

C14H26N2OS — CID 62449895

IUPAC2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCCCCCOCc1csc(CNC(C)(C)C)n1
InChIInChI=1S/C14H26N2OS/c1-5-6-7-8-17-10-12-11-18-13(16-12)9-15-14(2,3)4/h11,15H,5-10H2,1-4H3
InChIKeyJHDYJPZHAZKVCA-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.74
Rot. Bonds8

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

2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62449895) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62449895
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCCCCCOCc1csc(CNC(C)(C)C)n1
InChIInChI=1S/C14H26N2OS/c1-5-6-7-8-17-10-12-11-18-13(16-12)9-15-14(2,3)4/h11,15H,5-10H2,1-4H3
InChIKeyJHDYJPZHAZKVCA-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62451710
2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 106449918
2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 103285606
N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 82006022
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62450778
2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62455746
N-[[4-(1-ethoxypropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 103490551
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62450594
2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62486890
N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62444364
N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62450130

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62449895) is 2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is CCCCCOCc1csc(CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is JHDYJPZHAZKVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-5-6-7-8-17-10-12-11-18-13(16-12)9-15-14(2,3)4/h11,15H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 270.44 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62449895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).