2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole

C18H14ClNO2S — CID 71293764

IUPAC2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
SMILESClc1c(Oc2nccs2)ccc2c1CCC(c1ccccc1)O2
InChIInChI=1S/C18H14ClNO2S/c19-17-13-6-7-14(12-4-2-1-3-5-12)21-15(13)8-9-16(17)22-18-20-10-11-23-18/h1-5,8-11,14H,6-7H2
InChIKeyZUIJLJUOSZBSQJ-UHFFFAOYSA-N
MW343.84 g/mol
LogP5.66
Rot. Bonds3

About 2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole

2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole (PubChem CID 71293764) has the molecular formula C18H14ClNO2S and a molecular weight of 343.84 g/mol. Its IUPAC name is 2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
PubChem CID71293764
Molecular FormulaC18H14ClNO2S
Molecular Weight343.84 g/mol
Exact Mass343.04
IUPAC Name2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
SMILESClc1c(Oc2nccs2)ccc2c1CCC(c1ccccc1)O2
InChIInChI=1S/C18H14ClNO2S/c19-17-13-6-7-14(12-4-2-1-3-5-12)21-15(13)8-9-16(17)22-18-20-10-11-23-18/h1-5,8-11,14H,6-7H2
InChIKeyZUIJLJUOSZBSQJ-UHFFFAOYSA-N
XLogP5.66
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.84
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
CID 71293838
2-(2-Chloro-4-isopropoxyphenoxy)-1,3-thiazole
CID 69436904
2-(3,4-dihydro-2H-chromen-6-yloxy)-1,3-thiazole
CID 71293079
2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxylic acid
CID 71293190
2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
CID 71293617
2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
CID 71293645
4-chloro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
CID 71293656
2-[[2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
CID 71293696
3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol
CID 71293716
2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
CID 71293736
2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
CID 71293739
2-[[7-methyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
CID 71293796

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The IUPAC name of 2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole (CID 71293764) is 2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole.
What is the SMILES notation for 2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The canonical SMILES for 2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole is Clc1c(Oc2nccs2)ccc2c1CCC(c1ccccc1)O2.
What is the InChIKey of 2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The InChIKey is ZUIJLJUOSZBSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2S/c19-17-13-6-7-14(12-4-2-1-3-5-12)21-15(13)8-9-16(17)22-18-20-10-11-23-18/h1-5,8-11,14H,6-7H2.
What are the key properties of 2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole has a molecular weight of 343.84 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole is sourced from PubChem (CID 71293764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).