N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide

C11H13N3OS2 — CID 54896479

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide
SMILESCc1[nH]ncc1CNC(=O)CSc1cccs1
InChIInChI=1S/C11H13N3OS2/c1-8-9(6-13-14-8)5-12-10(15)7-17-11-3-2-4-16-11/h2-4,6H,5,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyIASCNLLHFRLAAW-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.19
Rot. Bonds5

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide (PubChem CID 54896479) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide
PubChem CID54896479
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide
SMILESCc1[nH]ncc1CNC(=O)CSc1cccs1
InChIInChI=1S/C11H13N3OS2/c1-8-9(6-13-14-8)5-12-10(15)7-17-11-3-2-4-16-11/h2-4,6H,5,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyIASCNLLHFRLAAW-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide
CID 99809710
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569662
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 61021531
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide
CID 43546433
2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 38763023
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 62688839
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate
CID 43725038
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 60768162
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide
CID 62487194
3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 61139058
N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide
CID 103919645

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide (CID 54896479) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide is Cc1[nH]ncc1CNC(=O)CSc1cccs1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is IASCNLLHFRLAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-8-9(6-13-14-8)5-12-10(15)7-17-11-3-2-4-16-11/h2-4,6H,5,7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 267.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 54896479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).