5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole

C15H10N2OS2 — CID 2742517

IUPAC5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1c(-c2csc(-c3ccno3)n2)sc2ccccc12
InChIInChI=1S/C15H10N2OS2/c1-9-10-4-2-3-5-13(10)20-14(9)11-8-19-15(17-11)12-6-7-16-18-12/h2-8H,1H3
InChIKeyIRGKLVYHHRCEQC-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.99
Rot. Bonds2

About 5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole

5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 2742517) has the molecular formula C15H10N2OS2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID2742517
Molecular FormulaC15H10N2OS2
Molecular Weight298.39 g/mol
Exact Mass298.02
IUPAC Name5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1c(-c2csc(-c3ccno3)n2)sc2ccccc12
InChIInChI=1S/C15H10N2OS2/c1-9-10-4-2-3-5-13(10)20-14(9)11-8-19-15(17-11)12-6-7-16-18-12/h2-8H,1H3
InChIKeyIRGKLVYHHRCEQC-UHFFFAOYSA-N
XLogP4.99
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole (CID 2742517) is 5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole is Cc1c(-c2csc(-c3ccno3)n2)sc2ccccc12.
What is the InChIKey of 5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is IRGKLVYHHRCEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS2/c1-9-10-4-2-3-5-13(10)20-14(9)11-8-19-15(17-11)12-6-7-16-18-12/h2-8H,1H3.
What are the key properties of 5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole?
5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 298.39 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 2742517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).