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

C13H16N4O2S — CID 43034338

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)on1
InChIInChI=1S/C13H16N4O2S/c1-8-7-10(19-17-8)11(18)14-13-16-15-12(20-13)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,14,16,18)
InChIKeyVYAFBYLXABNPEO-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.13
Rot. Bonds3

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

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 43034338) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID43034338
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)on1
InChIInChI=1S/C13H16N4O2S/c1-8-7-10(19-17-8)11(18)14-13-16-15-12(20-13)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,14,16,18)
InChIKeyVYAFBYLXABNPEO-UHFFFAOYSA-N
XLogP3.13
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide (CID 43034338) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)on1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is VYAFBYLXABNPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-7-10(19-17-8)11(18)14-13-16-15-12(20-13)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,14,16,18).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43034338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).