N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C14H15N5O2S2 — CID 75383998

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccsc1-c1nnc(SCC(=O)Nc2c(C)n[nH]c2C)o1
InChIInChI=1S/C14H15N5O2S2/c1-7-4-5-22-12(7)13-18-19-14(21-13)23-6-10(20)15-11-8(2)16-17-9(11)3/h4-5H,6H2,1-3H3,(H,15,20)(H,16,17)
InChIKeyMOVNVMYDOVBYRT-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.18
Rot. Bonds5

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 75383998) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID75383998
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccsc1-c1nnc(SCC(=O)Nc2c(C)n[nH]c2C)o1
InChIInChI=1S/C14H15N5O2S2/c1-7-4-5-22-12(7)13-18-19-14(21-13)23-6-10(20)15-11-8(2)16-17-9(11)3/h4-5H,6H2,1-3H3,(H,15,20)(H,16,17)
InChIKeyMOVNVMYDOVBYRT-UHFFFAOYSA-N
XLogP3.18
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 78762696
N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 167944282
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 71876755
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide
CID 43546433
2-(4-aminophenyl)sulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43299294
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4528545
N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682939
N-(4-bromo-2,6-dimethylphenyl)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126177183
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112777242
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4825893
N-(2,6-difluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162073
2-[[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112782862

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 75383998) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccsc1-c1nnc(SCC(=O)Nc2c(C)n[nH]c2C)o1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MOVNVMYDOVBYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c1-7-4-5-22-12(7)13-18-19-14(21-13)23-6-10(20)15-11-8(2)16-17-9(11)3/h4-5H,6H2,1-3H3,(H,15,20)(H,16,17).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 75383998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).