1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol

C14H17NO3S — CID 43503813

IUPAC1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
SMILESCOc1cc(C(C)O)ccc1OCc1csc(C)n1
InChIInChI=1S/C14H17NO3S/c1-9(16)11-4-5-13(14(6-11)17-3)18-7-12-8-19-10(2)15-12/h4-6,8-9,16H,7H2,1-3H3
InChIKeyATLMIRRXXUZSTP-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.09
Rot. Bonds5

About 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol

1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol (PubChem CID 43503813) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
PubChem CID43503813
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
SMILESCOc1cc(C(C)O)ccc1OCc1csc(C)n1
InChIInChI=1S/C14H17NO3S/c1-9(16)11-4-5-13(14(6-11)17-3)18-7-12-8-19-10(2)15-12/h4-6,8-9,16H,7H2,1-3H3
InChIKeyATLMIRRXXUZSTP-UHFFFAOYSA-N
XLogP3.09
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methoxyphenyl]ethanol
CID 78931623
1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 43503800
(1R)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 55245155
(1S)-1-[3-methoxy-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 78931662
3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 2446566
2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54930722
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxyphenyl]ethanol
CID 115332161
(1R)-1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 63364423
4-[[4-[(2S,3R)-4-[3,4-bis[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-2,3-dimethylbutyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]-2-methyl-1,3-thiazole
CID 59159875
(1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78931097
N-cyclopropyl-3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 35558311
1-[3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881584

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol (CID 43503813) is 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol is COc1cc(C(C)O)ccc1OCc1csc(C)n1.
What is the InChIKey of 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol?
The InChIKey is ATLMIRRXXUZSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-9(16)11-4-5-13(14(6-11)17-3)18-7-12-8-19-10(2)15-12/h4-6,8-9,16H,7H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol?
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol has a molecular weight of 279.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 43503813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).