2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol

C14H17NO2S — CID 112645241

IUPAC2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol
SMILESCOc1ccc(CC(CO)Cc2cncs2)cc1
InChIInChI=1S/C14H17NO2S/c1-17-13-4-2-11(3-5-13)6-12(9-16)7-14-8-15-10-18-14/h2-5,8,10,12,16H,6-7,9H2,1H3
InChIKeyZUBHEXJYFMMKPP-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.55
Rot. Bonds6

About 2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol

2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol (PubChem CID 112645241) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol
PubChem CID112645241
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol
SMILESCOc1ccc(CC(CO)Cc2cncs2)cc1
InChIInChI=1S/C14H17NO2S/c1-17-13-4-2-11(3-5-13)6-12(9-16)7-14-8-15-10-18-14/h2-5,8,10,12,16H,6-7,9H2,1H3
InChIKeyZUBHEXJYFMMKPP-UHFFFAOYSA-N
XLogP2.55
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 115979174
2-[(5-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)propan-1-ol
CID 66059477
[1-(4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105190796
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644019
4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732215
4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760158
2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979384
5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-thiazole
CID 112645332
2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 66059687
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
CID 22747843

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol (CID 112645241) is 2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol is COc1ccc(CC(CO)Cc2cncs2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol?
The InChIKey is ZUBHEXJYFMMKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-17-13-4-2-11(3-5-13)6-12(9-16)7-14-8-15-10-18-14/h2-5,8,10,12,16H,6-7,9H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol?
2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol has a molecular weight of 263.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 112645241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).