5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole

C15H14N2OS2 — CID 91802141

IUPAC5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole
SMILESCCc1cnc(CSc2cnc(-c3ccccc3)s2)o1
InChIInChI=1S/C15H14N2OS2/c1-2-12-8-16-13(18-12)10-19-14-9-17-15(20-14)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyMGPGEPWLJORGCT-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.65
Rot. Bonds5

About 5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole

5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole (PubChem CID 91802141) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole
PubChem CID91802141
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole
SMILESCCc1cnc(CSc2cnc(-c3ccccc3)s2)o1
InChIInChI=1S/C15H14N2OS2/c1-2-12-8-16-13(18-12)10-19-14-9-17-15(20-14)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyMGPGEPWLJORGCT-UHFFFAOYSA-N
XLogP4.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-Phenyl-1-(5-thiazol-2-yl-oxazol-2-yl)-heptan-1-one
CID 11336752
1-[(3,4-Difluorophenyl)methyl]-3-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea
CID 22971079
N-(2,4-difluorophenyl)-3-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-methylpropanamide
CID 141951318
1-(2,6-Difluorophenyl)-4-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]butan-2-one
CID 142070048
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096818
1-[5-[(5-Ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(1-phenylethyl)urea
CID 22970824
1-[5-[(5-Ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[(3-methylphenyl)methyl]urea
CID 22970861
1-[5-[(5-Ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[(2-methylphenyl)methyl]urea
CID 22970863
1-[5-[(5-Ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[(4-methylphenyl)methyl]urea
CID 22970866
S-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl] 2-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]ethanethioate
CID 22970932
S-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl] 2-(3-ethylphenyl)ethanethioate
CID 22970952
S-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl] 2-[3-(pyrrolidin-1-ylmethyl)phenyl]ethanethioate
CID 22970957

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole (CID 91802141) is 5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole is CCc1cnc(CSc2cnc(-c3ccccc3)s2)o1.
What is the InChIKey of 5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The InChIKey is MGPGEPWLJORGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-2-12-8-16-13(18-12)10-19-14-9-17-15(20-14)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3.
What are the key properties of 5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole?
5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole has a molecular weight of 302.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 91802141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).