N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

C11H13N3OS2 — CID 112691386

IUPACN-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCc1cn[nH]c1NC(=O)CSCc1cccs1
InChIInChI=1S/C11H13N3OS2/c1-8-5-12-14-11(8)13-10(15)7-16-6-9-3-2-4-17-9/h2-5H,6-7H2,1H3,(H2,12,13,14,15)
InChIKeyAVALHRVXTKFHDK-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.65
Rot. Bonds5

About N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 112691386) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID112691386
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCc1cn[nH]c1NC(=O)CSCc1cccs1
InChIInChI=1S/C11H13N3OS2/c1-8-5-12-14-11(8)13-10(15)7-16-6-9-3-2-4-17-9/h2-5H,6-7H2,1H3,(H2,12,13,14,15)
InChIKeyAVALHRVXTKFHDK-UHFFFAOYSA-N
XLogP2.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 47026318
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
N-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8639932
N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8569586
2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885294
N-(3-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8574853
5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474533
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358114
methyl 4-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 4256520
3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide
CID 115629975
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740347
(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 78972918

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 112691386) is N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is Cc1cn[nH]c1NC(=O)CSCc1cccs1.
What is the InChIKey of N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is AVALHRVXTKFHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-8-5-12-14-11(8)13-10(15)7-16-6-9-3-2-4-17-9/h2-5H,6-7H2,1H3,(H2,12,13,14,15).
What are the key properties of N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 267.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 112691386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).