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

C13H16N2OS — CID 115603266

IUPAC4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
SMILESCCc1nc(CNCc2ccc(O)cc2)cs1
InChIInChI=1S/C13H16N2OS/c1-2-13-15-11(9-17-13)8-14-7-10-3-5-12(16)6-4-10/h3-6,9,14,16H,2,7-8H2,1H3
InChIKeyNYSFGVCIVUXGJV-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.70
Rot. Bonds5

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

4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol (PubChem CID 115603266) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
PubChem CID115603266
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
SMILESCCc1nc(CNCc2ccc(O)cc2)cs1
InChIInChI=1S/C13H16N2OS/c1-2-13-15-11(9-17-13)8-14-7-10-3-5-12(16)6-4-10/h3-6,9,14,16H,2,7-8H2,1H3
InChIKeyNYSFGVCIVUXGJV-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 55021494
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
4-[[(4-hydroxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103268504
[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol
CID 110906009
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 55031559
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 62524203
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994
4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide
CID 119125481
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 61281443
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 82738200

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol (CID 115603266) is 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol is CCc1nc(CNCc2ccc(O)cc2)cs1.
What is the InChIKey of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol?
The InChIKey is NYSFGVCIVUXGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-13-15-11(9-17-13)8-14-7-10-3-5-12(16)6-4-10/h3-6,9,14,16H,2,7-8H2,1H3.
What are the key properties of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol?
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol has a molecular weight of 248.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol is sourced from PubChem (CID 115603266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).