N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C21H24N4O2S2 — CID 24652967

IUPACN-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1nc(C)c(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)C3CC3)o2)s1
InChIInChI=1S/C21H24N4O2S2/c1-13-19(29-15(3)22-13)20-23-24-21(27-20)28-12-18(26)25(14(2)17-9-10-17)11-16-7-5-4-6-8-16/h4-8,14,17H,9-12H2,1-3H3
InChIKeyQMONVZALHMDXJQ-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.73
Rot. Bonds8

About N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 24652967) has the molecular formula C21H24N4O2S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID24652967
Molecular FormulaC21H24N4O2S2
Molecular Weight428.58 g/mol
Exact Mass428.13
IUPAC NameN-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1nc(C)c(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)C3CC3)o2)s1
InChIInChI=1S/C21H24N4O2S2/c1-13-19(29-15(3)22-13)20-23-24-21(27-20)28-12-18(26)25(14(2)17-9-10-17)11-16-7-5-4-6-8-16/h4-8,14,17H,9-12H2,1-3H3
InChIKeyQMONVZALHMDXJQ-UHFFFAOYSA-N
XLogP4.73
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-benzhydryl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 46543156
N-[(4-bromophenyl)methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 24652908
N-benzyl-N-(1-cyclopropylethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 55399369
N-benzyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2696272
N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 78867244
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55547186
N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 60531411
N-[(3,4-dichlorophenyl)methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 34358258
1-(4-benzylsulfonylpiperazin-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 24669933
N-[(5-chlorothiophen-2-yl)methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 55547104
N-[1-(2-chlorophenyl)ethyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24652924
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide
CID 37170171

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 24652967) is N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1nc(C)c(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)C3CC3)o2)s1.
What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is QMONVZALHMDXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S2/c1-13-19(29-15(3)22-13)20-23-24-21(27-20)28-12-18(26)25(14(2)17-9-10-17)11-16-7-5-4-6-8-16/h4-8,14,17H,9-12H2,1-3H3.
What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 428.58 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 24652967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).