2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol

C13H16N2OS — CID 62735021

IUPAC2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
SMILESCc1csc(CCNCc2ccccc2O)n1
InChIInChI=1S/C13H16N2OS/c1-10-9-17-13(15-10)6-7-14-8-11-4-2-3-5-12(11)16/h2-5,9,14,16H,6-8H2,1H3
InChIKeyLSYSWNLHJXMSPH-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.49
Rot. Bonds5

About 2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol

2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol (PubChem CID 62735021) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
PubChem CID62735021
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
SMILESCc1csc(CCNCc2ccccc2O)n1
InChIInChI=1S/C13H16N2OS/c1-10-9-17-13(15-10)6-7-14-8-11-4-2-3-5-12(11)16/h2-5,9,14,16H,6-8H2,1H3
InChIKeyLSYSWNLHJXMSPH-UHFFFAOYSA-N
XLogP2.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112606838
4-bromo-2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 113229731
2,4-dichloro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 62734645
N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55027046
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112582356
2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63238856
2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66414117
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 60761621
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929723
N-[(5-chloroquinolin-8-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115697343
N-[(5-methyl-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 80708302
methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
CID 82895032

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol (CID 62735021) is 2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol is Cc1csc(CCNCc2ccccc2O)n1.
What is the InChIKey of 2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The InChIKey is LSYSWNLHJXMSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-9-17-13(15-10)6-7-14-8-11-4-2-3-5-12(11)16/h2-5,9,14,16H,6-8H2,1H3.
What are the key properties of 2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol?
2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol has a molecular weight of 248.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 62735021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).