3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide

C7H6N4O2S2 — CID 175872108

IUPAC3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide
SMILESCSc1nnc(-c2cc(C(N)=O)on2)s1
InChIInChI=1S/C7H6N4O2S2/c1-14-7-10-9-6(15-7)3-2-4(5(8)12)13-11-3/h2H,1H3,(H2,8,12)
InChIKeyOCDZEHXAXYOXIU-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.01
Rot. Bonds3

About 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide

3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 175872108) has the molecular formula C7H6N4O2S2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide
PubChem CID175872108
Molecular FormulaC7H6N4O2S2
Molecular Weight242.28 g/mol
Exact Mass241.99
IUPAC Name3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide
SMILESCSc1nnc(-c2cc(C(N)=O)on2)s1
InChIInChI=1S/C7H6N4O2S2/c1-14-7-10-9-6(15-7)3-2-4(5(8)12)13-11-3/h2H,1H3,(H2,8,12)
InChIKeyOCDZEHXAXYOXIU-UHFFFAOYSA-N
XLogP1.01
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide (CID 175872108) is 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide is CSc1nnc(-c2cc(C(N)=O)on2)s1.
What is the InChIKey of 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is OCDZEHXAXYOXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2S2/c1-14-7-10-9-6(15-7)3-2-4(5(8)12)13-11-3/h2H,1H3,(H2,8,12).
What are the key properties of 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 175872108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).