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

C15H15N5O2S2 — CID 2077599

IUPAC2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nnc(NCc3ccccc3)s2)no1
InChIInChI=1S/C15H15N5O2S2/c1-10-7-12(20-22-10)17-13(21)9-23-15-19-18-14(24-15)16-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,16,18)(H,17,20,21)
InChIKeyYXQAHEIEQWYYQX-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.18
Rot. Bonds7

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

2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2077599) has the molecular formula C15H15N5O2S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2077599
Molecular FormulaC15H15N5O2S2
Molecular Weight361.45 g/mol
Exact Mass361.07
IUPAC Name2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nnc(NCc3ccccc3)s2)no1
InChIInChI=1S/C15H15N5O2S2/c1-10-7-12(20-22-10)17-13(21)9-23-15-19-18-14(24-15)16-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,16,18)(H,17,20,21)
InChIKeyYXQAHEIEQWYYQX-UHFFFAOYSA-N
XLogP3.18
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1345688
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2089362
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2585593
N-(5-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-1-(m-tolyl)pyrrolidine-3-carboxamide
CID 15944791
N-(5-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-1-(o-tolyl)pyrrolidine-3-carboxamide
CID 15944803
N-(5-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 15944851
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide
CID 4882938
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 648828
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 855629
N-(5-methyl-3-isoxazolyl)-2-{[1-(2-methylphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1243637
3-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 1567467
N-(5-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide
CID 15944899

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2077599) is 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nnc(NCc3ccccc3)s2)no1.
What is the InChIKey of 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is YXQAHEIEQWYYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S2/c1-10-7-12(20-22-10)17-13(21)9-23-15-19-18-14(24-15)16-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,16,18)(H,17,20,21).
What are the key properties of 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2077599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).