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

C14H13N3OS2 — CID 39531941

IUPAC5-(3-methylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1cccc(-c2nc(CSc3nc(C)cs3)no2)c1
InChIInChI=1S/C14H13N3OS2/c1-9-4-3-5-11(6-9)13-16-12(17-18-13)8-20-14-15-10(2)7-19-14/h3-7H,8H2,1-2H3
InChIKeyULUKLOXVQRYZQM-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.10
Rot. Bonds4

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

5-(3-methylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 39531941) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-(3-methylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID39531941
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name5-(3-methylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1cccc(-c2nc(CSc3nc(C)cs3)no2)c1
InChIInChI=1S/C14H13N3OS2/c1-9-4-3-5-11(6-9)13-16-12(17-18-13)8-20-14-15-10(2)7-19-14/h3-7H,8H2,1-2H3
InChIKeyULUKLOXVQRYZQM-UHFFFAOYSA-N
XLogP4.10
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 39531941) is 5-(3-methylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is Cc1cccc(-c2nc(CSc3nc(C)cs3)no2)c1.
What is the InChIKey of 5-(3-methylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is ULUKLOXVQRYZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-9-4-3-5-11(6-9)13-16-12(17-18-13)8-20-14-15-10(2)7-19-14/h3-7H,8H2,1-2H3.
What are the key properties of 5-(3-methylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
5-(3-methylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 303.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 39531941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).