2-[(2-aminoacetyl)amino]thiophene-3-carboxamide

C7H9N3O2S — CID 60641622

IUPAC2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
SMILESNCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C7H9N3O2S/c8-3-5(11)10-7-4(6(9)12)1-2-13-7/h1-2H,3,8H2,(H2,9,12)(H,10,11)
InChIKeyOJRSAWXJTLHXEC-UHFFFAOYSA-N
MW199.24 g/mol
LogP-0.26
Rot. Bonds3

About 2-[(2-aminoacetyl)amino]thiophene-3-carboxamide

2-[(2-aminoacetyl)amino]thiophene-3-carboxamide (PubChem CID 60641622) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
PubChem CID60641622
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Name2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
SMILESNCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C7H9N3O2S/c8-3-5(11)10-7-4(6(9)12)1-2-13-7/h1-2H,3,8H2,(H2,9,12)(H,10,11)
InChIKeyOJRSAWXJTLHXEC-UHFFFAOYSA-N
XLogP-0.26
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927
2-(4-chlorobutanoylamino)thiophene-3-carboxamide
CID 63309353
2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
CID 79193054
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63646484
2-(ethylamino)thiophene-3-carboxamide
CID 63089344
2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856
2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide
CID 61253475
ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate
CID 60660981
2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 2126171
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43467104
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide
CID 115435197

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-aminoacetyl)amino]thiophene-3-carboxamide (CID 60641622) is 2-[(2-aminoacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-aminoacetyl)amino]thiophene-3-carboxamide is NCC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]thiophene-3-carboxamide?
The InChIKey is OJRSAWXJTLHXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c8-3-5(11)10-7-4(6(9)12)1-2-13-7/h1-2H,3,8H2,(H2,9,12)(H,10,11).
What are the key properties of 2-[(2-aminoacetyl)amino]thiophene-3-carboxamide?
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide has a molecular weight of 199.24 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 60641622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).