N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide

C11H13N3OS2 — CID 43546433

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide
SMILESCc1n[nH]c(C)c1NC(=O)CSc1cccs1
InChIInChI=1S/C11H13N3OS2/c1-7-11(8(2)14-13-7)12-9(15)6-17-10-4-3-5-16-10/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyVPMUVGFPDFLYPN-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.82
Rot. Bonds4

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide (PubChem CID 43546433) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide
PubChem CID43546433
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide
SMILESCc1n[nH]c(C)c1NC(=O)CSc1cccs1
InChIInChI=1S/C11H13N3OS2/c1-7-11(8(2)14-13-7)12-9(15)6-17-10-4-3-5-16-10/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyVPMUVGFPDFLYPN-UHFFFAOYSA-N
XLogP2.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide (CID 43546433) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide is Cc1n[nH]c(C)c1NC(=O)CSc1cccs1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is VPMUVGFPDFLYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-7-11(8(2)14-13-7)12-9(15)6-17-10-4-3-5-16-10/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 267.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 43546433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).