2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C13H15ClN4O2S — CID 79126696

IUPAC2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2cc(N)ccc2Cl)o1
InChIInChI=1S/C13H15ClN4O2S/c1-7(2)12-17-18-13(20-12)16-11(19)6-21-10-5-8(15)3-4-9(10)14/h3-5,7H,6,15H2,1-2H3,(H,16,18,19)
InChIKeyAVMAUNOWDTZHHP-UHFFFAOYSA-N
MW326.81 g/mol
LogP3.16
Rot. Bonds5

About 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 79126696) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID79126696
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2cc(N)ccc2Cl)o1
InChIInChI=1S/C13H15ClN4O2S/c1-7(2)12-17-18-13(20-12)16-11(19)6-21-10-5-8(15)3-4-9(10)14/h3-5,7H,6,15H2,1-2H3,(H,16,18,19)
InChIKeyAVMAUNOWDTZHHP-UHFFFAOYSA-N
XLogP3.16
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 79133327
2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 79126720
2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 43305123
2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 61034820
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 43068228
methyl 2-chloro-5-[[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 5023494
2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79134546
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 66104454
N-(2,3-dichlorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 28564153
N-(3-chloro-2-methylphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4222281
2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128069
2-[[5-(4-methylphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 43071553

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 79126696) is 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CSc2cc(N)ccc2Cl)o1.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is AVMAUNOWDTZHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-7(2)12-17-18-13(20-12)16-11(19)6-21-10-5-8(15)3-4-9(10)14/h3-5,7H,6,15H2,1-2H3,(H,16,18,19).
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 326.81 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 79126696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).