N-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C18H15N5O2S2 — CID 2816026

IUPACN-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(-c3cccs3)o2)n(-c2ccccc2)n1
InChIInChI=1S/C18H15N5O2S2/c1-12-10-15(23(22-12)13-6-3-2-4-7-13)19-16(24)11-27-18-21-20-17(25-18)14-8-5-9-26-14/h2-10H,11H2,1H3,(H,19,24)
InChIKeyKPHZRKYTRSIJDU-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.02
Rot. Bonds6

About N-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2816026) has the molecular formula C18H15N5O2S2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2816026
Molecular FormulaC18H15N5O2S2
Molecular Weight397.49 g/mol
Exact Mass397.07
IUPAC NameN-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(-c3cccs3)o2)n(-c2ccccc2)n1
InChIInChI=1S/C18H15N5O2S2/c1-12-10-15(23(22-12)13-6-3-2-4-7-13)19-16(24)11-27-18-21-20-17(25-18)14-8-5-9-26-14/h2-10H,11H2,1H3,(H,19,24)
InChIKeyKPHZRKYTRSIJDU-UHFFFAOYSA-N
XLogP4.02
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2816026) is N-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nnc(-c3cccs3)o2)n(-c2ccccc2)n1.
What is the InChIKey of N-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is KPHZRKYTRSIJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S2/c1-12-10-15(23(22-12)13-6-3-2-4-7-13)19-16(24)11-27-18-21-20-17(25-18)14-8-5-9-26-14/h2-10H,11H2,1H3,(H,19,24).
What are the key properties of N-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 397.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2816026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).