5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

C16H17N3O2S2 — CID 95339767

IUPAC5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCCc1nc(C[S@@](=O)Cc2nc(-c3ccccc3C)no2)cs1
InChIInChI=1S/C16H17N3O2S2/c1-3-15-17-12(8-22-15)9-23(20)10-14-18-16(19-21-14)13-7-5-4-6-11(13)2/h4-8H,3,9-10H2,1-2H3/t23-/m1/s1
InChIKeyCQICGUBBCDPCNA-HSZRJFAPSA-N
MW347.46 g/mol
LogP3.51
Rot. Bonds6

About 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 95339767) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID95339767
Molecular FormulaC16H17N3O2S2
Molecular Weight347.46 g/mol
Exact Mass347.08
IUPAC Name5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCCc1nc(C[S@@](=O)Cc2nc(-c3ccccc3C)no2)cs1
InChIInChI=1S/C16H17N3O2S2/c1-3-15-17-12(8-22-15)9-23(20)10-14-18-16(19-21-14)13-7-5-4-6-11(13)2/h4-8H,3,9-10H2,1-2H3/t23-/m1/s1
InChIKeyCQICGUBBCDPCNA-HSZRJFAPSA-N
XLogP3.51
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 131911467
5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole
CID 95317780
1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 43358487
3-(4-ethylphenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinylmethyl]-1,2,4-oxadiazole
CID 78853499
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
CID 53278309
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17101265
3-[(S)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide
CID 95354034
3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide
CID 95064164
2,2,2-trifluoro-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 78914987
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-amine
CID 66229386
1-ethyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione
CID 9207850
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942

Frequently Asked Questions

What is the IUPAC name of 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 95339767) is 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is CCc1nc(C[S@@](=O)Cc2nc(-c3ccccc3C)no2)cs1.
What is the InChIKey of 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is CQICGUBBCDPCNA-HSZRJFAPSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-3-15-17-12(8-22-15)9-23(20)10-14-18-16(19-21-14)13-7-5-4-6-11(13)2/h4-8H,3,9-10H2,1-2H3/t23-/m1/s1.
What are the key properties of 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 347.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 95339767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).