5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione

C7H7N3OS2 — CID 17480855

IUPAC5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCc1nc(C)c(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C7H7N3OS2/c1-3-5(13-4(2)8-3)6-9-10-7(12)11-6/h1-2H3,(H,10,12)
InChIKeyPKPQBNRJCZXHIG-UHFFFAOYSA-N
MW213.29 g/mol
LogP2.47
Rot. Bonds1

About 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione

5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 17480855) has the molecular formula C7H7N3OS2 and a molecular weight of 213.29 g/mol. Its IUPAC name is 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID17480855
Molecular FormulaC7H7N3OS2
Molecular Weight213.29 g/mol
Exact Mass213.00
IUPAC Name5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCc1nc(C)c(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C7H7N3OS2/c1-3-5(13-4(2)8-3)6-9-10-7(12)11-6/h1-2H3,(H,10,12)
InChIKeyPKPQBNRJCZXHIG-UHFFFAOYSA-N
XLogP2.47
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (CID 17480855) is 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is Cc1nc(C)c(-c2n[nH]c(=S)o2)s1.
What is the InChIKey of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is PKPQBNRJCZXHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS2/c1-3-5(13-4(2)8-3)6-9-10-7(12)11-6/h1-2H3,(H,10,12).
What are the key properties of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 213.29 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 17480855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).