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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 54910799
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4791415
2-(4-aminophenyl)sulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43299294
N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 43399092
N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 30897344
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 75383998
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112777242
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide
CID 54896479
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide
CID 71924247
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4825893
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 61300317
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2558618

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).