2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole

C16H12N2OS2 — CID 155813904

IUPAC2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole
SMILESCOc1ccc2[nH]cc(-c3nc(-c4ccsc4)cs3)c2c1
InChIInChI=1S/C16H12N2OS2/c1-19-11-2-3-14-12(6-11)13(7-17-14)16-18-15(9-21-16)10-4-5-20-8-10/h2-9,17H,1H3
InChIKeyXFQSWHWEEJWDOP-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.03
Rot. Bonds3

About 2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole

2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole (PubChem CID 155813904) has the molecular formula C16H12N2OS2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole
PubChem CID155813904
Molecular FormulaC16H12N2OS2
Molecular Weight312.42 g/mol
Exact Mass312.04
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole
SMILESCOc1ccc2[nH]cc(-c3nc(-c4ccsc4)cs3)c2c1
InChIInChI=1S/C16H12N2OS2/c1-19-11-2-3-14-12(6-11)13(7-17-14)16-18-15(9-21-16)10-4-5-20-8-10/h2-9,17H,1H3
InChIKeyXFQSWHWEEJWDOP-UHFFFAOYSA-N
XLogP5.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole (CID 155813904) is 2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole is COc1ccc2[nH]cc(-c3nc(-c4ccsc4)cs3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole?
The InChIKey is XFQSWHWEEJWDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS2/c1-19-11-2-3-14-12(6-11)13(7-17-14)16-18-15(9-21-16)10-4-5-20-8-10/h2-9,17H,1H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole?
2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole has a molecular weight of 312.42 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-4-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 155813904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).