N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C13H18N4O2S — CID 43020399

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCCCCc1nnc(NC(=O)Cc2c(C)noc2C)s1
InChIInChI=1S/C13H18N4O2S/c1-4-5-6-12-15-16-13(20-12)14-11(18)7-10-8(2)17-19-9(10)3/h4-7H2,1-3H3,(H,14,16,18)
InChIKeyNUCUVHQOZIXTLN-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.67
Rot. Bonds6

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 43020399) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID43020399
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCCCCc1nnc(NC(=O)Cc2c(C)noc2C)s1
InChIInChI=1S/C13H18N4O2S/c1-4-5-6-12-15-16-13(20-12)14-11(18)7-10-8(2)17-19-9(10)3/h4-7H2,1-3H3,(H,14,16,18)
InChIKeyNUCUVHQOZIXTLN-UHFFFAOYSA-N
XLogP2.67
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide
CID 43052396
N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 93242361
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 31039499
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 135931982
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 31039084
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 24818075
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34114329
3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 137296557

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 43020399) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is CCCCc1nnc(NC(=O)Cc2c(C)noc2C)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is NUCUVHQOZIXTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-5-6-12-15-16-13(20-12)14-11(18)7-10-8(2)17-19-9(10)3/h4-7H2,1-3H3,(H,14,16,18).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 294.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 43020399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).