3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol

C16H11NO2S2 — CID 154454613

IUPAC3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol
SMILESOc1ccc2c(c1)OCC(c1csc(-c3cccs3)n1)=C2
InChIInChI=1S/C16H11NO2S2/c18-12-4-3-10-6-11(8-19-14(10)7-12)13-9-21-16(17-13)15-2-1-5-20-15/h1-7,9,18H,8H2
InChIKeyARWCNYJQGIMCTH-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.51
Rot. Bonds2

About 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol

3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol (PubChem CID 154454613) has the molecular formula C16H11NO2S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol
PubChem CID154454613
Molecular FormulaC16H11NO2S2
Molecular Weight313.40 g/mol
Exact Mass313.02
IUPAC Name3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol
SMILESOc1ccc2c(c1)OCC(c1csc(-c3cccs3)n1)=C2
InChIInChI=1S/C16H11NO2S2/c18-12-4-3-10-6-11(8-19-14(10)7-12)13-9-21-16(17-13)15-2-1-5-20-15/h1-7,9,18H,8H2
InChIKeyARWCNYJQGIMCTH-UHFFFAOYSA-N
XLogP4.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol?
The IUPAC name of 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol (CID 154454613) is 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol.
What is the SMILES notation for 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol?
The canonical SMILES for 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol is Oc1ccc2c(c1)OCC(c1csc(-c3cccs3)n1)=C2.
What is the InChIKey of 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol?
The InChIKey is ARWCNYJQGIMCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2S2/c18-12-4-3-10-6-11(8-19-14(10)7-12)13-9-21-16(17-13)15-2-1-5-20-15/h1-7,9,18H,8H2.
What are the key properties of 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol?
3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol has a molecular weight of 313.40 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-2H-chromen-7-ol is sourced from PubChem (CID 154454613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).