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

C18H14ClNO2S — CID 71293656

IUPAC4-chloro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
SMILESClc1csc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)n1
InChIInChI=1S/C18H14ClNO2S/c19-17-11-23-18(20-17)21-14-7-9-16-13(10-14)6-8-15(22-16)12-4-2-1-3-5-12/h1-5,7,9-11,15H,6,8H2
InChIKeyCGMOIWVZLTWBCY-UHFFFAOYSA-N
MW343.84 g/mol
LogP5.66
Rot. Bonds3

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

4-chloro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole (PubChem CID 71293656) has the molecular formula C18H14ClNO2S and a molecular weight of 343.84 g/mol. Its IUPAC name is 4-chloro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
PubChem CID71293656
Molecular FormulaC18H14ClNO2S
Molecular Weight343.84 g/mol
Exact Mass343.04
IUPAC Name4-chloro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
SMILESClc1csc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)n1
InChIInChI=1S/C18H14ClNO2S/c19-17-11-23-18(20-17)21-14-7-9-16-13(10-14)6-8-15(22-16)12-4-2-1-3-5-12/h1-5,7,9-11,15H,6,8H2
InChIKeyCGMOIWVZLTWBCY-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The IUPAC name of 4-chloro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole (CID 71293656) is 4-chloro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The canonical SMILES for 4-chloro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole is Clc1csc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)n1.
What is the InChIKey of 4-chloro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The InChIKey is CGMOIWVZLTWBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2S/c19-17-11-23-18(20-17)21-14-7-9-16-13(10-14)6-8-15(22-16)12-4-2-1-3-5-12/h1-5,7,9-11,15H,6,8H2.
What are the key properties of 4-chloro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
4-chloro-2-[(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 4-chloro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole is sourced from PubChem (CID 71293656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).