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

C13H12ClNO2S — CID 114714492

IUPAC6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1csc(C2CC(O)c3cc(Cl)ccc3O2)n1
InChIInChI=1S/C13H12ClNO2S/c1-7-6-18-13(15-7)12-5-10(16)9-4-8(14)2-3-11(9)17-12/h2-4,6,10,12,16H,5H2,1H3
InChIKeyUVERXFUYBRHTRY-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.66
Rot. Bonds1

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

6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714492) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714492
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1csc(C2CC(O)c3cc(Cl)ccc3O2)n1
InChIInChI=1S/C13H12ClNO2S/c1-7-6-18-13(15-7)12-5-10(16)9-4-8(14)2-3-11(9)17-12/h2-4,6,10,12,16H,5H2,1H3
InChIKeyUVERXFUYBRHTRY-UHFFFAOYSA-N
XLogP3.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 104949096
(4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 104949114
6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714427
(4R)-6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949116
6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714567
(4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol
CID 104949002
6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106819475
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950362
(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845999

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol (CID 114714492) is 6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol is Cc1csc(C2CC(O)c3cc(Cl)ccc3O2)n1.
What is the InChIKey of 6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is UVERXFUYBRHTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-7-6-18-13(15-7)12-5-10(16)9-4-8(14)2-3-11(9)17-12/h2-4,6,10,12,16H,5H2,1H3.
What are the key properties of 6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol?
6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 281.76 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).