3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide

C11H14N4O2S2 — CID 46300062

IUPAC3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCCSc1nnc(NC(=O)c2c(C)noc2C)s1
InChIInChI=1S/C11H14N4O2S2/c1-4-5-18-11-14-13-10(19-11)12-9(16)8-6(2)15-17-7(8)3/h4-5H2,1-3H3,(H,12,13,16)
InChIKeyMWGYURIJGUGMOD-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.90
Rot. Bonds5

About 3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 46300062) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID46300062
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCCSc1nnc(NC(=O)c2c(C)noc2C)s1
InChIInChI=1S/C11H14N4O2S2/c1-4-5-18-11-14-13-10(19-11)12-9(16)8-6(2)15-17-7(8)3/h4-5H2,1-3H3,(H,12,13,16)
InChIKeyMWGYURIJGUGMOD-UHFFFAOYSA-N
XLogP2.90
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

2-[[5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 7100743
1,1-dimethyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 91995911
5-methyl-3-phenyl-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 17320867
4-(2-oxo-2-phenylacetyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 19226665
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4800714
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylthiadiazole-5-carboxamide
CID 121029144
3-methyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 46299902
5-[(2,3,4,5,6-pentamethylphenyl)methyl]-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 21045903
3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 2171476
6-chloro-7-methyl-4-oxo-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
CID 4974159
4-ethoxy-3-methyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100543309
N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 5050280

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 46300062) is 3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide is CCCSc1nnc(NC(=O)c2c(C)noc2C)s1.
What is the InChIKey of 3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is MWGYURIJGUGMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-4-5-18-11-14-13-10(19-11)12-9(16)8-6(2)15-17-7(8)3/h4-5H2,1-3H3,(H,12,13,16).
What are the key properties of 3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46300062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).