4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

C10H12N4O2S — CID 154866590

IUPAC4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2nocc2C)s1
InChIInChI=1S/C10H12N4O2S/c1-3-4-7-12-13-10(17-7)11-9(15)8-6(2)5-16-14-8/h5H,3-4H2,1-2H3,(H,11,13,15)
InChIKeyVKIIIGIVJJMBND-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.04
Rot. Bonds4

About 4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 154866590) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID154866590
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2nocc2C)s1
InChIInChI=1S/C10H12N4O2S/c1-3-4-7-12-13-10(17-7)11-9(15)8-6(2)5-16-14-8/h5H,3-4H2,1-2H3,(H,11,13,15)
InChIKeyVKIIIGIVJJMBND-UHFFFAOYSA-N
XLogP2.04
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 146128553
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 34109190
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17011674
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 26209843
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110485976
2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119688142

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 154866590) is 4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is CCCc1nnc(NC(=O)c2nocc2C)s1.
What is the InChIKey of 4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is VKIIIGIVJJMBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-3-4-7-12-13-10(17-7)11-9(15)8-6(2)5-16-14-8/h5H,3-4H2,1-2H3,(H,11,13,15).
What are the key properties of 4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154866590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).