2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole

C21H13N3OS2 — CID 140987684

IUPAC2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole
SMILESc1ccc(-c2sc(-c3ncco3)c(-c3nccs3)c2-c2ccccn2)cc1
InChIInChI=1S/C21H13N3OS2/c1-2-6-14(7-3-1)18-16(15-8-4-5-9-22-15)17(21-24-11-13-26-21)19(27-18)20-23-10-12-25-20/h1-13H
InChIKeyGFGFKOMTQKTIFY-UHFFFAOYSA-N
MW387.49 g/mol
LogP6.26
Rot. Bonds4

About 2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole

2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole (PubChem CID 140987684) has the molecular formula C21H13N3OS2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole
PubChem CID140987684
Molecular FormulaC21H13N3OS2
Molecular Weight387.49 g/mol
Exact Mass387.05
IUPAC Name2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole
SMILESc1ccc(-c2sc(-c3ncco3)c(-c3nccs3)c2-c2ccccn2)cc1
InChIInChI=1S/C21H13N3OS2/c1-2-6-14(7-3-1)18-16(15-8-4-5-9-22-15)17(21-24-11-13-26-21)19(27-18)20-23-10-12-25-20/h1-13H
InChIKeyGFGFKOMTQKTIFY-UHFFFAOYSA-N
XLogP6.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine
CID 118059100
2-[2-(Furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]-1,3-thiazole
CID 145983842
Myc-IN-2
CID 145985805
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
6-(1,3-Oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine
CID 123216017
2-[4-[4-(Thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole
CID 71624770
2-(4-Methylthieno[3,2-b]pyrrol-5-yl)-5-phenyl-1,3-oxazole
CID 156017924
2-[(2-Phenyl-1,3-oxazol-5-yl)methylthio]benzothiazole
CID 683050
[6-Fluoro-2-methyl-3-(4-oxazol-2-ylphenylsulfanyl)indolizin-1-yl]acetic acid ethyl ester
CID 68588109
2-[2-(4-Fluorophenyl)-3-thiophen-2-ylquinoxalin-6-yl]-1,3-oxazole
CID 156410593
2-(2,6-Difluorophenyl)-1-[4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]ethanone
CID 161648857

Frequently Asked Questions

What is the IUPAC name of 2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole?
The IUPAC name of 2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole (CID 140987684) is 2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole is c1ccc(-c2sc(-c3ncco3)c(-c3nccs3)c2-c2ccccn2)cc1.
What is the InChIKey of 2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole?
The InChIKey is GFGFKOMTQKTIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3OS2/c1-2-6-14(7-3-1)18-16(15-8-4-5-9-22-15)17(21-24-11-13-26-21)19(27-18)20-23-10-12-25-20/h1-13H.
What are the key properties of 2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole?
2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole has a molecular weight of 387.49 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole is sourced from PubChem (CID 140987684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).