5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole

C14H13NOS — CID 6539806

IUPAC5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole
SMILESCOc1ccc2c(c1)CC/C2=C\c1cncs1
InChIInChI=1S/C14H13NOS/c1-16-12-4-5-14-10(6-12)2-3-11(14)7-13-8-15-9-17-13/h4-9H,2-3H2,1H3/b11-7+
InChIKeyYBVSJXCRZPLUNH-YRNVUSSQSA-N
MW243.33 g/mol
LogP3.64
Rot. Bonds2

About 5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole

5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole (PubChem CID 6539806) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole
PubChem CID6539806
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole
SMILESCOc1ccc2c(c1)CC/C2=C\c1cncs1
InChIInChI=1S/C14H13NOS/c1-16-12-4-5-14-10(6-12)2-3-11(14)7-13-8-15-9-17-13/h4-9H,2-3H2,1H3/b11-7+
InChIKeyYBVSJXCRZPLUNH-YRNVUSSQSA-N
XLogP3.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole?
The IUPAC name of 5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole (CID 6539806) is 5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole is COc1ccc2c(c1)CC/C2=C\c1cncs1.
What is the InChIKey of 5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole?
The InChIKey is YBVSJXCRZPLUNH-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H13NOS/c1-16-12-4-5-14-10(6-12)2-3-11(14)7-13-8-15-9-17-13/h4-9H,2-3H2,1H3/b11-7+.
What are the key properties of 5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole?
5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole has a molecular weight of 243.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole is sourced from PubChem (CID 6539806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).