[5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol

C12H13NO3S — CID 43267936

IUPAC[5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
SMILESCOc1ccc(OCc2cscn2)c(CO)c1
InChIInChI=1S/C12H13NO3S/c1-15-11-2-3-12(9(4-11)5-14)16-6-10-7-17-8-13-10/h2-4,7-8,14H,5-6H2,1H3
InChIKeyKWCPTRLVESHALF-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.22
Rot. Bonds5

About [5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol

[5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol (PubChem CID 43267936) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is [5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
PubChem CID43267936
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name[5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
SMILESCOc1ccc(OCc2cscn2)c(CO)c1
InChIInChI=1S/C12H13NO3S/c1-15-11-2-3-12(9(4-11)5-14)16-6-10-7-17-8-13-10/h2-4,7-8,14H,5-6H2,1H3
InChIKeyKWCPTRLVESHALF-UHFFFAOYSA-N
XLogP2.22
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 61269053
[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487344
2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
CID 61269283
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxyphenyl]methanol
CID 115332156
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine
CID 82000485
[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267977
[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267981
[5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
CID 60869596
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43268000
(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 37435693
1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 43503800

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol?
The IUPAC name of [5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol (CID 43267936) is [5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol?
The canonical SMILES for [5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol is COc1ccc(OCc2cscn2)c(CO)c1.
What is the InChIKey of [5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol?
The InChIKey is KWCPTRLVESHALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-15-11-2-3-12(9(4-11)5-14)16-6-10-7-17-8-13-10/h2-4,7-8,14H,5-6H2,1H3.
What are the key properties of [5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol?
[5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol has a molecular weight of 251.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 43267936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).