5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide

C8H10N2O2S2 — CID 103526621

IUPAC5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide
SMILESCSc1sc(C(C)=O)c(N)c1C(N)=O
InChIInChI=1S/C8H10N2O2S2/c1-3(11)6-5(9)4(7(10)12)8(13-2)14-6/h9H2,1-2H3,(H2,10,12)
InChIKeyYUHYYGIDKJRYRO-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.35
Rot. Bonds3

About 5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide

5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide (PubChem CID 103526621) has the molecular formula C8H10N2O2S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide
PubChem CID103526621
Molecular FormulaC8H10N2O2S2
Molecular Weight230.31 g/mol
Exact Mass230.02
IUPAC Name5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide
SMILESCSc1sc(C(C)=O)c(N)c1C(N)=O
InChIInChI=1S/C8H10N2O2S2/c1-3(11)6-5(9)4(7(10)12)8(13-2)14-6/h9H2,1-2H3,(H2,10,12)
InChIKeyYUHYYGIDKJRYRO-UHFFFAOYSA-N
XLogP1.35
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)ethanone
CID 103526669
3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide
CID 103526720
5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419870
3-amino-5-methylsulfanyl-4-methylsulfonylthiophene-2-carboxamide
CID 103526743
3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103417444
5-acetyl-2-amino-4-methylthiophene-3-carboxamide
CID 1271564
1-[3-amino-4,5-bis(methylsulfanyl)thiophen-2-yl]propan-1-one
CID 103526629
5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide
CID 103418844
5-acetyl-4-amino-2-(3,3-dimethylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 103505594
5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide
CID 103426230
5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide
CID 103422547
5-[(3,4,5-tricarbamoylthiophen-2-yl)disulfanyl]thiophene-2,3,4-tricarboxamide
CID 139909660

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide (CID 103526621) is 5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide is CSc1sc(C(C)=O)c(N)c1C(N)=O.
What is the InChIKey of 5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide?
The InChIKey is YUHYYGIDKJRYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S2/c1-3(11)6-5(9)4(7(10)12)8(13-2)14-6/h9H2,1-2H3,(H2,10,12).
What are the key properties of 5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide?
5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide is sourced from PubChem (CID 103526621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).