2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide

C10H10ClN3OS2 — CID 43429554

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(CSCc1ccc(Cl)s1)Nc1cn[nH]c1
InChIInChI=1S/C10H10ClN3OS2/c11-9-2-1-8(17-9)5-16-6-10(15)14-7-3-12-13-4-7/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyZORZLVZROXTFFT-UHFFFAOYSA-N
MW287.80 g/mol
LogP3.00
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43429554) has the molecular formula C10H10ClN3OS2 and a molecular weight of 287.80 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43429554
Molecular FormulaC10H10ClN3OS2
Molecular Weight287.80 g/mol
Exact Mass287.00
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(CSCc1ccc(Cl)s1)Nc1cn[nH]c1
InChIInChI=1S/C10H10ClN3OS2/c11-9-2-1-8(17-9)5-16-6-10(15)14-7-3-12-13-4-7/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyZORZLVZROXTFFT-UHFFFAOYSA-N
XLogP3.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.80
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide (CID 43429554) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide is O=C(CSCc1ccc(Cl)s1)Nc1cn[nH]c1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is ZORZLVZROXTFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS2/c11-9-2-1-8(17-9)5-16-6-10(15)14-7-3-12-13-4-7/h1-4H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 287.80 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43429554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).