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

C9H11N3OS2 — CID 82425630

IUPAC5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCc1nc(C(C)C)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C9H11N3OS2/c1-4(2)8-10-5(3)6(15-8)7-11-12-9(14)13-7/h4H,1-3H3,(H,12,14)
InChIKeyWZJDBCVEHKLRMD-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.29
Rot. Bonds2

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

5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82425630) has the molecular formula C9H11N3OS2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID82425630
Molecular FormulaC9H11N3OS2
Molecular Weight241.34 g/mol
Exact Mass241.03
IUPAC Name5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCc1nc(C(C)C)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C9H11N3OS2/c1-4(2)8-10-5(3)6(15-8)7-11-12-9(14)13-7/h4H,1-3H3,(H,12,14)
InChIKeyWZJDBCVEHKLRMD-UHFFFAOYSA-N
XLogP3.29
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.29
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-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (CID 82425630) is 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is Cc1nc(C(C)C)sc1-c1n[nH]c(=S)o1.
What is the InChIKey of 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is WZJDBCVEHKLRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS2/c1-4(2)8-10-5(3)6(15-8)7-11-12-9(14)13-7/h4H,1-3H3,(H,12,14).
What are the key properties of 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 241.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82425630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).