5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

C14H13N3O2S2 — CID 31530857

IUPAC5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(CSc3nc(C)cs3)no2)cc1
InChIInChI=1S/C14H13N3O2S2/c1-9-7-20-14(15-9)21-8-12-16-13(19-17-12)10-3-5-11(18-2)6-4-10/h3-7H,8H2,1-2H3
InChIKeyVDWLZCRWTVNIGY-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.80
Rot. Bonds5

About 5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 31530857) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID31530857
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(CSc3nc(C)cs3)no2)cc1
InChIInChI=1S/C14H13N3O2S2/c1-9-7-20-14(15-9)21-8-12-16-13(19-17-12)10-3-5-11(18-2)6-4-10/h3-7H,8H2,1-2H3
InChIKeyVDWLZCRWTVNIGY-UHFFFAOYSA-N
XLogP3.80
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 24661609
3-[(4-ethoxyphenyl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 55553266
5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 30777405
5-(4-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole
CID 31531671
3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
2-(4-methoxyphenyl)-5-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 46435511
1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64650382
6-chloro-2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-benzoxazole
CID 56522476
3-[(3,5-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878775
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55960096
5-(4-methoxyphenyl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 31531733

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 31530857) is 5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is COc1ccc(-c2nc(CSc3nc(C)cs3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is VDWLZCRWTVNIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-9-7-20-14(15-9)21-8-12-16-13(19-17-12)10-3-5-11(18-2)6-4-10/h3-7H,8H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 319.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 31530857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).