(4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol

C13H13NO2S — CID 104950265

IUPAC(4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)[C@H](O)CC(c1cncs1)O2
InChIInChI=1S/C13H13NO2S/c1-8-2-3-11-9(4-8)10(15)5-12(16-11)13-6-14-7-17-13/h2-4,6-7,10,12,15H,5H2,1H3/t10-,12?/m1/s1
InChIKeyBQHKEKFOYURCRM-RWANSRKNSA-N
MW247.32 g/mol
LogP3.01
Rot. Bonds1

About (4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol

(4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104950265) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is (4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104950265
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name(4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)[C@H](O)CC(c1cncs1)O2
InChIInChI=1S/C13H13NO2S/c1-8-2-3-11-9(4-8)10(15)5-12(16-11)13-6-14-7-17-13/h2-4,6-7,10,12,15H,5H2,1H3/t10-,12?/m1/s1
InChIKeyBQHKEKFOYURCRM-RWANSRKNSA-N
XLogP3.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-(4,5-dibromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 102846013
(4S)-2-(1-benzothiophen-3-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950495
2-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715244
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950362
(2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol
CID 124573509
(4S)-6-bromo-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947196
(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104944167
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950561
2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715251
6-methyl-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715181
(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950688

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol (CID 104950265) is (4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol is Cc1ccc2c(c1)[C@H](O)CC(c1cncs1)O2.
What is the InChIKey of (4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is BQHKEKFOYURCRM-RWANSRKNSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-8-2-3-11-9(4-8)10(15)5-12(16-11)13-6-14-7-17-13/h2-4,6-7,10,12,15H,5H2,1H3/t10-,12?/m1/s1.
What are the key properties of (4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 247.32 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104950265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).