4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol

C15H19ClN2O2S — CID 83977365

IUPAC4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol
SMILESCCOc1cc(CC(CN)c2nc(C)cs2)cc(Cl)c1O
InChIInChI=1S/C15H19ClN2O2S/c1-3-20-13-6-10(5-12(16)14(13)19)4-11(7-17)15-18-9(2)8-21-15/h5-6,8,11,19H,3-4,7,17H2,1-2H3
InChIKeyYSUGKPWRPDGDDX-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.49
Rot. Bonds6

About 4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol

4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol (PubChem CID 83977365) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol.

Molecular Properties

Compound Name4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol
PubChem CID83977365
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol
SMILESCCOc1cc(CC(CN)c2nc(C)cs2)cc(Cl)c1O
InChIInChI=1S/C15H19ClN2O2S/c1-3-20-13-6-10(5-12(16)14(13)19)4-11(7-17)15-18-9(2)8-21-15/h5-6,8,11,19H,3-4,7,17H2,1-2H3
InChIKeyYSUGKPWRPDGDDX-UHFFFAOYSA-N
XLogP3.49
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977361
3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977408
4-[2-(aminomethyl)-3-hydroxypropyl]-2-chloro-6-ethoxyphenol
CID 83977198
3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977399
3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977396
3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975945
4-amino-2-chloro-6-ethoxyphenol
CID 86120469
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol
CID 82160859
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 112538807
4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
CID 83973519
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol?
The IUPAC name of 4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol (CID 83977365) is 4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol.
What is the SMILES notation for 4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol?
The canonical SMILES for 4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol is CCOc1cc(CC(CN)c2nc(C)cs2)cc(Cl)c1O.
What is the InChIKey of 4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol?
The InChIKey is YSUGKPWRPDGDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-3-20-13-6-10(5-12(16)14(13)19)4-11(7-17)15-18-9(2)8-21-15/h5-6,8,11,19H,3-4,7,17H2,1-2H3.
What are the key properties of 4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol?
4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol has a molecular weight of 326.85 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol is sourced from PubChem (CID 83977365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).