2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol

C15H18N2O2S2 — CID 129403491

IUPAC2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol
SMILESCOc1cc(CN2CCSC[C@H]2c2nccs2)ccc1O
InChIInChI=1S/C15H18N2O2S2/c1-19-14-8-11(2-3-13(14)18)9-17-5-7-20-10-12(17)15-16-4-6-21-15/h2-4,6,8,12,18H,5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyINPKEQHQVAUOIZ-LBPRGKRZSA-N
MW322.46 g/mol
LogP3.15
Rot. Bonds4

About 2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol

2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol (PubChem CID 129403491) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol
PubChem CID129403491
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol
SMILESCOc1cc(CN2CCSC[C@H]2c2nccs2)ccc1O
InChIInChI=1S/C15H18N2O2S2/c1-19-14-8-11(2-3-13(14)18)9-17-5-7-20-10-12(17)15-16-4-6-21-15/h2-4,6,8,12,18H,5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyINPKEQHQVAUOIZ-LBPRGKRZSA-N
XLogP3.15
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 99932250
2-methoxy-4-[(2-thiophen-2-ylazepan-1-yl)methyl]phenol
CID 46366605
bis(2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol);hydrate;tetrahydrochloride
CID 23618065
(5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone
CID 124617252
2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol
CID 40514865
2-methoxy-4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenol
CID 99842894
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
2-[(2R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 99927338
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 60576885
4-[[(2R)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]azepan-1-yl]methyl]-2-methoxyphenol
CID 92598162
(1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 100956100
N-(thiadiazol-5-yl)-3-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
CID 95219301

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol (CID 129403491) is 2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol is COc1cc(CN2CCSC[C@H]2c2nccs2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol?
The InChIKey is INPKEQHQVAUOIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-19-14-8-11(2-3-13(14)18)9-17-5-7-20-10-12(17)15-16-4-6-21-15/h2-4,6,8,12,18H,5,7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of 2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol?
2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol has a molecular weight of 322.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol is sourced from PubChem (CID 129403491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).