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

C14H17NO2S — CID 66059930

IUPAC2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol
SMILESCOc1cccc(CC(CO)Cc2cscn2)c1
InChIInChI=1S/C14H17NO2S/c1-17-14-4-2-3-11(7-14)5-12(8-16)6-13-9-18-10-15-13/h2-4,7,9-10,12,16H,5-6,8H2,1H3
InChIKeyMWCVSMSSYFICQD-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.55
Rot. Bonds6

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

2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol (PubChem CID 66059930) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol
PubChem CID66059930
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol
SMILESCOc1cccc(CC(CO)Cc2cscn2)c1
InChIInChI=1S/C14H17NO2S/c1-17-14-4-2-3-11(7-14)5-12(8-16)6-13-9-18-10-15-13/h2-4,7,9-10,12,16H,5-6,8H2,1H3
InChIKeyMWCVSMSSYFICQD-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-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66060150
2-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345906
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propan-1-ol
CID 66058670
[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 28782947
2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66060151
2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059296
2-[(3-methoxyphenyl)methyl]octan-1-ol
CID 66058454
2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059508
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol
CID 113474719
(2S)-2-[(3-methoxyphenyl)methylamino]-3-pyridin-2-ylpropan-1-ol
CID 122589547
2-[(3-chlorophenyl)methyl]-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62516119

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol (CID 66059930) is 2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol is COc1cccc(CC(CO)Cc2cscn2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol?
The InChIKey is MWCVSMSSYFICQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-17-14-4-2-3-11(7-14)5-12(8-16)6-13-9-18-10-15-13/h2-4,7,9-10,12,16H,5-6,8H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol?
2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-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-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol is sourced from PubChem (CID 66059930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).