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

C16H13NO2S2 — CID 71293617

IUPAC2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
SMILESc1csc(Oc2ccc3c(c2)CCC(c2ccsc2)O3)n1
InChIInChI=1S/C16H13NO2S2/c1-3-15(12-5-7-20-10-12)19-14-4-2-13(9-11(1)14)18-16-17-6-8-21-16/h2,4-10,15H,1,3H2
InChIKeyUMTJEQNFCNLTRI-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.06
Rot. Bonds3

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

2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole (PubChem CID 71293617) has the molecular formula C16H13NO2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
PubChem CID71293617
Molecular FormulaC16H13NO2S2
Molecular Weight315.42 g/mol
Exact Mass315.04
IUPAC Name2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
SMILESc1csc(Oc2ccc3c(c2)CCC(c2ccsc2)O3)n1
InChIInChI=1S/C16H13NO2S2/c1-3-15(12-5-7-20-10-12)19-14-4-2-13(9-11(1)14)18-16-17-6-8-21-16/h2,4-10,15H,1,3H2
InChIKeyUMTJEQNFCNLTRI-UHFFFAOYSA-N
XLogP5.06
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The IUPAC name of 2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole (CID 71293617) is 2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole.
What is the SMILES notation for 2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The canonical SMILES for 2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole is c1csc(Oc2ccc3c(c2)CCC(c2ccsc2)O3)n1.
What is the InChIKey of 2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The InChIKey is UMTJEQNFCNLTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S2/c1-3-15(12-5-7-20-10-12)19-14-4-2-13(9-11(1)14)18-16-17-6-8-21-16/h2,4-10,15H,1,3H2.
What are the key properties of 2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole has a molecular weight of 315.42 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-3-yl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole is sourced from PubChem (CID 71293617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).