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

C12H14N2OS — CID 107921704

IUPAC3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol
SMILESCCNCc1csc(-c2cccc(O)c2)n1
InChIInChI=1S/C12H14N2OS/c1-2-13-7-10-8-16-12(14-10)9-4-3-5-11(15)6-9/h3-6,8,13,15H,2,7H2,1H3
InChIKeyCHVUQSLCLGYZMK-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.63
Rot. Bonds4

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

3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol (PubChem CID 107921704) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol
PubChem CID107921704
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol
SMILESCCNCc1csc(-c2cccc(O)c2)n1
InChIInChI=1S/C12H14N2OS/c1-2-13-7-10-8-16-12(14-10)9-4-3-5-11(15)6-9/h3-6,8,13,15H,2,7H2,1H3
InChIKeyCHVUQSLCLGYZMK-UHFFFAOYSA-N
XLogP2.63
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 165457032
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79980351
[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 10828361
N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 104806392
N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61280499
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol
CID 43628520
N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 81143527
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 90124709
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol (CID 107921704) is 3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol is CCNCc1csc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol?
The InChIKey is CHVUQSLCLGYZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-13-7-10-8-16-12(14-10)9-4-3-5-11(15)6-9/h3-6,8,13,15H,2,7H2,1H3.
What are the key properties of 3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol?
3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol has a molecular weight of 234.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 107921704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).