(3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol

C19H17NO2S — CID 46942524

IUPAC(3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol
SMILESCOc1cccc(C(O)c2nc(/C=C/c3ccccc3)cs2)c1
InChIInChI=1S/C19H17NO2S/c1-22-17-9-5-8-15(12-17)18(21)19-20-16(13-23-19)11-10-14-6-3-2-4-7-14/h2-13,18,21H,1H3/b11-10+
InChIKeyWAXAZHALCMPHRS-ZHACJKMWSA-N
MW323.42 g/mol
LogP4.40
Rot. Bonds5

About (3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol

(3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol (PubChem CID 46942524) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol
PubChem CID46942524
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name(3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol
SMILESCOc1cccc(C(O)c2nc(/C=C/c3ccccc3)cs2)c1
InChIInChI=1S/C19H17NO2S/c1-22-17-9-5-8-15(12-17)18(21)19-20-16(13-23-19)11-10-14-6-3-2-4-7-14/h2-13,18,21H,1H3/b11-10+
InChIKeyWAXAZHALCMPHRS-ZHACJKMWSA-N
XLogP4.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol
CID 66584990
(2,6-difluorophenyl)-(3-methoxyphenyl)methanol
CID 63893352
(3-fluoro-5-methylphenyl)-(3-methoxyphenyl)methanol
CID 79689828
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
(5-fluoro-2-pyridinyl)-(3-methoxyphenyl)methanol
CID 79723849
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
(3-methoxyphenyl)-quinolin-3-ylmethanol
CID 60924189
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
(R)-(3-methoxyphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293101
4-[2-(6-methoxynaphthalen-2-yl)ethenyl]-1,3-thiazol-2-amine
CID 77040091
(3-fluorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114978494
(3-methoxyphenyl)-phenanthren-9-ylmethanol
CID 72942494

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of (3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol (CID 46942524) is (3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for (3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for (3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol is COc1cccc(C(O)c2nc(/C=C/c3ccccc3)cs2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol?
The InChIKey is WAXAZHALCMPHRS-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-22-17-9-5-8-15(12-17)18(21)19-20-16(13-23-19)11-10-14-6-3-2-4-7-14/h2-13,18,21H,1H3/b11-10+.
What are the key properties of (3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol?
(3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol has a molecular weight of 323.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 46942524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).