4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide

C9H10N4O2S — CID 119101570

IUPAC4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cnoc1C
InChIInChI=1S/C9H10N4O2S/c1-5-8(16-13-12-5)9(14)10-3-7-4-11-15-6(7)2/h4H,3H2,1-2H3,(H,10,14)
InChIKeyABSBUSCTHRMASD-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.07
Rot. Bonds3

About 4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide

4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 119101570) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide
PubChem CID119101570
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cnoc1C
InChIInChI=1S/C9H10N4O2S/c1-5-8(16-13-12-5)9(14)10-3-7-4-11-15-6(7)2/h4H,3H2,1-2H3,(H,10,14)
InChIKeyABSBUSCTHRMASD-UHFFFAOYSA-N
XLogP1.07
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide (CID 119101570) is 4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1cnoc1C.
What is the InChIKey of 4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is ABSBUSCTHRMASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-5-8(16-13-12-5)9(14)10-3-7-4-11-15-6(7)2/h4H,3H2,1-2H3,(H,10,14).
What are the key properties of 4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide?
4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 238.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 119101570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).