2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

C11H14N4O2S3 — CID 51140531

IUPAC2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCSc1nnc(SCC(=O)Nc2cc(C(C)C)no2)s1
InChIInChI=1S/C11H14N4O2S3/c1-6(2)7-4-9(17-15-7)12-8(16)5-19-11-14-13-10(18-3)20-11/h4,6H,5H2,1-3H3,(H,12,16)
InChIKeyRDNFMKRFOLWLET-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.10
Rot. Bonds6

About 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 51140531) has the molecular formula C11H14N4O2S3 and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID51140531
Molecular FormulaC11H14N4O2S3
Molecular Weight330.46 g/mol
Exact Mass330.03
IUPAC Name2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCSc1nnc(SCC(=O)Nc2cc(C(C)C)no2)s1
InChIInChI=1S/C11H14N4O2S3/c1-6(2)7-4-9(17-15-7)12-8(16)5-19-11-14-13-10(18-3)20-11/h4,6H,5H2,1-3H3,(H,12,16)
InChIKeyRDNFMKRFOLWLET-UHFFFAOYSA-N
XLogP3.10
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 18776443
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2670694
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 176585430
2-(3-aminophenyl)sulfanyl-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 79134132
3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 43238022
N-(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2668647
N-(2,5-dimethylpyrazol-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 46672676
2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 43440631
N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 89054004
2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 39004073
N-(2-chlorophenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820649
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
CID 2668654

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 51140531) is 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is CSc1nnc(SCC(=O)Nc2cc(C(C)C)no2)s1.
What is the InChIKey of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is RDNFMKRFOLWLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S3/c1-6(2)7-4-9(17-15-7)12-8(16)5-19-11-14-13-10(18-3)20-11/h4,6H,5H2,1-3H3,(H,12,16).
What are the key properties of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 330.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 51140531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).