2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine

C16H22N2OS — CID 60956803

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCc1csc(CCNCc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C16H22N2OS/c1-12(2)19-15-6-4-14(5-7-15)10-17-9-8-16-18-13(3)11-20-16/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyUBQDCGUZFRSLST-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.57
Rot. Bonds7

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

2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 60956803) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID60956803
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCc1csc(CCNCc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C16H22N2OS/c1-12(2)19-15-6-4-14(5-7-15)10-17-9-8-16-18-13(3)11-20-16/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyUBQDCGUZFRSLST-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine 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-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 60761621
N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55027046
N-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 82103427
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 62796188
2-methoxy-5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzonitrile
CID 65340913
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 78992597
2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 62735021
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 61035312
2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 104626899
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63238886

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine (CID 60956803) is 2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine is Cc1csc(CCNCc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is UBQDCGUZFRSLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12(2)19-15-6-4-14(5-7-15)10-17-9-8-16-18-13(3)11-20-16/h4-7,11-12,17H,8-10H2,1-3H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60956803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).