6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol

C13H13NO3S — CID 114715380

IUPAC6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)C(O)CC(c1nccs1)O2
InChIInChI=1S/C13H13NO3S/c1-16-8-2-3-11-9(6-8)10(15)7-12(17-11)13-14-4-5-18-13/h2-6,10,12,15H,7H2,1H3
InChIKeyGJUDLBHRJCUOSL-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.71
Rot. Bonds2

About 6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol

6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715380) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715380
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)C(O)CC(c1nccs1)O2
InChIInChI=1S/C13H13NO3S/c1-16-8-2-3-11-9(6-8)10(15)7-12(17-11)13-14-4-5-18-13/h2-6,10,12,15H,7H2,1H3
InChIKeyGJUDLBHRJCUOSL-UHFFFAOYSA-N
XLogP2.71
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946802
(4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951048
(4S)-2-(5-bromothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950840
(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950789
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026
2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715443
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102846024
(4S)-6-methoxy-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104950762
2-(2-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715418
(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951076
6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715305
(4R)-2-(4-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104980296

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol (CID 114715380) is 6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)C(O)CC(c1nccs1)O2.
What is the InChIKey of 6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is GJUDLBHRJCUOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-16-8-2-3-11-9(6-8)10(15)7-12(17-11)13-14-4-5-18-13/h2-6,10,12,15H,7H2,1H3.
What are the key properties of 6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol?
6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 263.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).